| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.7 | Low | 73.4 | Confident | 194 Ų | 194 | 95.5 Ų | 95.5 | 96% | 0.956 | 47% | 0.469 | S | S | * | . | 0 | -61.8 | 0 | -136.8 | 169.1 | -88.4 | 0 | 0 | 109.3 | A3 K4 E5 | M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.46Å; M1-A3 VanDerWaalsContact O-N 3.08Å; M1-K4 PolarHBondContact O-N 3.01Å; M1-E5 PolarHBondContact O-N 3.31Å | |||
| 2 | K | 68.1 | Low | 73.7 | Confident | 129 Ų | 129 | 93.8 Ų | 93.8 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -38.9 | -49.2 | 173.3 | -62.9 | -172.8 | 177 | -171.7 | 0 | 116.1 | K4 E5 L6 Y74 | K2-K4 VanDerWaalsContact C-N 3.34Å; K2-K4 PolarHBondContact O-N 3.28Å; K2-E5 VanDerWaalsContact CA-OE2 3.28Å; K2-E5 WeakPolarHBondContact CA-OE2 3.38Å; K2-E5 PolarHBondContact N-OE2 3.43Å; K2-E5 PolarHBondContact O-N 3.36Å; K2-L6 WeakPolarHBondContact O-CB 3.38Å; K2-L6 PolarHBondContact O-N 3.06Å; K2-Y74 HydrophobicContact CB-CE1 4.47Å; K2-Y74 HydrophobicContact CD-CD1 4.44Å; K2-Y74 HydrophobicContact CD-CE1 4.48Å; K2-Y74 HydrophobicContact CG-CD1 4.32Å; K2-Y74 HydrophobicContact CG-CE1 4.09Å |
| 3 | A | 69.8 | Low | 74.2 | Confident | 70 Ų | 70 | 89.6 Ų | 89.6 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.1 | -35 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1 Q7 | M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.46Å; M1-A3 VanDerWaalsContact O-N 3.08Å; A3-Q7 WeakPolarHBondContact O-CB 3.34Å; A3-Q7 VanDerWaalsContact O-CG 3.23Å; A3-Q7 WeakPolarHBondContact O-CG 3.32Å; A3-Q7 PolarHBondContact O-N 3.3Å; A3-Q7 VanDerWaalsContact O-N 3.08Å |
| 4 | K | 74.6 | Confident | 74.4 | Confident | 145 Ų | 145 | 91.1 Ų | 91.1 | 63% | 0.63 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -76.3 | -36.8 | -178.7 | -169.4 | 179.6 | 178.6 | -176.2 | 0 | 111.4 | M1 K2 Q8 | M1-K4 PolarHBondContact O-N 3.01Å; K2-K4 VanDerWaalsContact C-N 3.34Å; K2-K4 PolarHBondContact O-N 3.28Å; K4-Q8 WeakPolarHBondContact O-CG 3.4Å; K4-Q8 PolarHBondContact O-N 2.82Å; K4-Q8 VanDerWaalsContact O-N 3.12Å |
| 5 | E | 77.7 | Confident | 74.1 | Confident | 35 Ų | 35 | 96.9 Ų | 96.9 | 16% | 0.164 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 176.3 | -64.6 | 151 | 172.4 | 0 | 0 | 110.6 | M1 K2 Q7 Q8 L9 W71 | M1-E5 PolarHBondContact O-N 3.31Å; K2-E5 VanDerWaalsContact CA-OE2 3.28Å; K2-E5 WeakPolarHBondContact CA-OE2 3.38Å; K2-E5 PolarHBondContact N-OE2 3.43Å; K2-E5 PolarHBondContact O-N 3.36Å; E5-Q7 VanDerWaalsContact C-N 3.32Å; E5-Q7 PolarHBondContact O-N 3.46Å; E5-Q8 PolarHBondContact O-N 3.08Å; E5-Q8 VanDerWaalsContact O-N 3.16Å; E5-L9 PolarHBondContact O-N 3.44Å; E5-W71 HydrophobicContact CB-CB 4.18Å; E5-W71 HydrophobicContact CG-CB 3.74Å; E5-W71 HydrophobicContact CG-CG 4.48Å |
| 6 | L | 76.4 | Confident | 73.5 | Confident | 56 Ų | 56 | 92.3 Ų | 92.3 | 29% | 0.293 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.5 | -160.2 | 98.7 | 0 | 0 | 0 | 111.3 | K2 Q8 L9 Q10 Y74 | K2-L6 WeakPolarHBondContact O-CB 3.38Å; K2-L6 PolarHBondContact O-N 3.06Å; L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 PolarHBondContact O-N 2.96Å; L6-L9 PolarHBondContact O-N 2.91Å; L6-Q10 VanDerWaalsContact O-CB 3.32Å; L6-Q10 WeakPolarHBondContact O-CB 3.47Å; L6-Q10 VanDerWaalsContact O-CG 3.27Å; L6-Q10 WeakPolarHBondContact O-CG 3.27Å; L6-Q10 PolarHBondContact O-N 2.73Å; L6-Y74 WeakPolarHBondContact CD1-OH 3.34Å |
| 7 | Q | 77.2 | Confident | 72.8 | Confident | 122 Ų | 122 | 92.8 Ų | 92.8 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.2 | -39.1 | 174.9 | -81 | 176.1 | -15.7 | 0 | 0 | 112.6 | A3 E5 H11 | A3-Q7 WeakPolarHBondContact O-CB 3.34Å; A3-Q7 VanDerWaalsContact O-CG 3.23Å; A3-Q7 WeakPolarHBondContact O-CG 3.32Å; A3-Q7 PolarHBondContact O-N 3.3Å; A3-Q7 VanDerWaalsContact O-N 3.08Å; E5-Q7 VanDerWaalsContact C-N 3.32Å; E5-Q7 PolarHBondContact O-N 3.46Å; Q7-H11 WeakPolarHBondContact O-CB 3.32Å; Q7-H11 PolarHBondContact O-N 2.99Å |
| 8 | Q | 74.1 | Confident | 71.8 | Confident | 83 Ų | 83 | 95.5 Ų | 95.5 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 176.7 | -75.1 | 175.6 | -25.8 | 0 | 0 | 111.8 | K4 E5 L6 H11 Y12 E68 W71 | K4-Q8 WeakPolarHBondContact O-CG 3.4Å; K4-Q8 PolarHBondContact O-N 2.82Å; K4-Q8 VanDerWaalsContact O-N 3.12Å; E5-Q8 PolarHBondContact O-N 3.08Å; E5-Q8 VanDerWaalsContact O-N 3.16Å; L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 PolarHBondContact O-N 2.96Å; Q8-H11 PolarHBondContact O-N 3.2Å; Q8-Y12 WeakPolarHBondContact O-CB 3.42Å; Q8-Y12 PolarHBondContact O-N 2.74Å; Q8-E68 HydrophobicContact CB-CG 4.39Å; Q8-W71 VanDerWaalsContact OE1-CZ3 3.24Å |
| 9 | L | 78.9 | Confident | 70.6 | Confident | 13 Ų | 13 | 96.4 Ų | 96.4 | 7% | 0.068 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 175.7 | -175.3 | 64 | 0 | 0 | 0 | 111.4 | E5 L6 H11 Y12 L13 F55 P66 L69 T72 | E5-L9 PolarHBondContact O-N 3.44Å; L6-L9 PolarHBondContact O-N 2.91Å; L9-H11 PolarHBondContact O-N 3.46Å; L9-Y12 WeakPolarHBondContact O-CB 3.44Å; L9-Y12 PolarHBondContact O-N 3.33Å; L9-L13 HydrophobicContact CG-CD1 4.32Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 3.04Å; L9-F55 HydrophobicContact CD1-CE2 4.29Å; L9-F55 HydrophobicContact CD2-CD2 4.14Å; L9-F55 HydrophobicContact CD2-CE2 4.32Å; L9-P66 HydrophobicContact CD1-CB 4.03Å; L9-P66 HydrophobicContact CD1-CG 3.63Å; L9-L69 HydrophobicContact CD1-CD1 4.49Å; L9-L69 HydrophobicContact CD2-CD1 4.1Å; L9-T72 HydrophobicContact CD2-CG2 4.25Å |
| 10 | Q | 79.6 | Confident | 69.3 | Low | 93 Ų | 93 | 98.7 Ų | 98.7 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.8 | -76.2 | 175.5 | -21.2 | 0 | 0 | 111.4 | L6 Y12 L13 E14 | L6-Q10 VanDerWaalsContact O-CB 3.32Å; L6-Q10 WeakPolarHBondContact O-CB 3.47Å; L6-Q10 VanDerWaalsContact O-CG 3.27Å; L6-Q10 WeakPolarHBondContact O-CG 3.27Å; L6-Q10 PolarHBondContact O-N 2.73Å; Q10-Y12 VanDerWaalsContact C-N 3.29Å; Q10-Y12 PolarHBondContact O-N 3.34Å; Q10-L13 PolarHBondContact O-N 2.85Å; Q10-L13 VanDerWaalsContact O-N 3.15Å; Q10-E14 WeakPolarHBondContact O-CB 3.35Å; Q10-E14 WeakPolarHBondContact O-CG 3.23Å; Q10-E14 PolarHBondContact O-N 3.15Å |
| 11 | H | 77.4 | Confident | 67.8 | Low | 111 Ų | 111 | 99.5 Ų | 99.5 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 177.1 | -175 | 66.3 | 0 | 0 | 0 | 112.2 | Q7 Q8 L9 R15 | Q7-H11 WeakPolarHBondContact O-CB 3.32Å; Q7-H11 PolarHBondContact O-N 2.99Å; Q8-H11 PolarHBondContact O-N 3.2Å; L9-H11 PolarHBondContact O-N 3.46Å; H11-R15 VanDerWaalsContact O-CB 3.23Å; H11-R15 WeakPolarHBondContact O-CB 3.23Å; H11-R15 PolarHBondContact O-N 3.36Å |
| 12 | Y | 76.9 | Confident | 66.9 | Low | 75 Ų | 75 | 94.4 Ų | 94.4 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 174 | 175.2 | -93 | 0 | 0 | 0 | 112 | Q8 L9 Q10 S16 W62 P66 | Q8-Y12 WeakPolarHBondContact O-CB 3.42Å; Q8-Y12 PolarHBondContact O-N 2.74Å; L9-Y12 WeakPolarHBondContact O-CB 3.44Å; L9-Y12 PolarHBondContact O-N 3.33Å; Q10-Y12 VanDerWaalsContact C-N 3.29Å; Q10-Y12 PolarHBondContact O-N 3.34Å; Y12-S16 WeakPolarHBondContact O-CB 3.16Å; Y12-S16 PolarHBondContact O-N 3.24Å; Y12-S16 PolarHBondContact O-OG 3.45Å; Y12-W62 HydrophobicContact CD1-CH2 4.14Å; Y12-W62 HydrophobicContact CD1-CZ3 4.13Å; Y12-W62 HydrophobicContact CE1-CE3 4.26Å; Y12-W62 AromaticContact CE1-CH2 3.68Å; Y12-W62 HydrophobicContact CE1-CH2 3.68Å; Y12-W62 AromaticContact CE1-CZ3 3.23Å; Y12-W62 HydrophobicContact CE1-CZ3 3.23Å; Y12-W62 AromaticContact CZ-CZ3 3.7Å; Y12-P66 HydrophobicContact CD1-CB 3.69Å; Y12-P66 HydrophobicContact CD1-CG 4.15Å; Y12-P66 HydrophobicContact CE1-CB 3.53Å; Y12-P66 HydrophobicContact CE1-CG 3.96Å; Y12-P66 HydrophobicContact CG-CB 4.32Å |
| 13 | L | 79.6 | Confident | 65.5 | Low | 39 Ų | 39 | 93.9 Ų | 93.9 | 20% | 0.204 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 177.4 | -67.8 | 170.6 | 0 | 0 | 0 | 111.5 | L9 Q10 S16 L17 L57 W62 | L9-L13 HydrophobicContact CG-CD1 4.32Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 3.04Å; Q10-L13 PolarHBondContact O-N 2.85Å; Q10-L13 VanDerWaalsContact O-N 3.15Å; L13-S16 PolarHBondContact O-N 2.96Å; L13-L17 WeakPolarHBondContact O-CG 3.22Å; L13-L17 PolarHBondContact O-N 3.5Å; L13-L57 HydrophobicContact CD2-CD1 3.63Å; L13-W62 HydrophobicContact CD2-CH2 3.82Å; L13-W62 HydrophobicContact CD2-CZ2 3.81Å |
| 14 | E | 77.7 | Confident | 63.9 | Low | 110 Ų | 110 | 96.2 Ų | 96.2 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177.5 | -73.8 | 178.4 | 170.7 | 0 | 0 | 112.6 | Q10 S16 L17 L18 | Q10-E14 WeakPolarHBondContact O-CB 3.35Å; Q10-E14 WeakPolarHBondContact O-CG 3.23Å; Q10-E14 PolarHBondContact O-N 3.15Å; E14-S16 PolarHBondContact O-N 2.95Å; E14-L17 WeakPolarHBondContact O-CA 3.37Å; E14-L17 WeakPolarHBondContact O-CB 3.45Å; E14-L17 PolarHBondContact O-N 3.16Å; E14-L18 WeakPolarHBondContact O-CG 3.32Å; E14-L18 PolarHBondContact O-N 3.11Å |
| 15 | R | 69.5 | Low | 62 | Low | 179 Ų | 179 | 93.3 Ų | 93.3 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -33.4 | 178.3 | -169.9 | 175.6 | -178.9 | -174.4 | 0 | 111.9 | H11 L17 L18 | H11-R15 VanDerWaalsContact O-CB 3.23Å; H11-R15 WeakPolarHBondContact O-CB 3.23Å; H11-R15 PolarHBondContact O-N 3.36Å; R15-L17 VanDerWaalsContact C-N 3.29Å; R15-L18 PolarHBondContact O-N 2.96Å |
| 16 | S | 64.3 | Low | 59.7 | Low | 23 Ų | 23 | 95 Ų | 95 | 16% | 0.161 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -73.2 | -22.8 | 174.3 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | Y12 L13 E14 T19 R61 W62 | Y12-S16 WeakPolarHBondContact O-CB 3.16Å; Y12-S16 PolarHBondContact O-N 3.24Å; Y12-S16 PolarHBondContact O-OG 3.45Å; L13-S16 PolarHBondContact O-N 2.96Å; E14-S16 PolarHBondContact O-N 2.95Å; S16-T19 PolarHBondContact O-OG1 2.86Å; S16-R61 VanDerWaalsContact C-CZ 3.45Å; S16-R61 PolarHBondContact O-NE 2.81Å; S16-R61 PolarHBondContact O-NH1 3.1Å; S16-R61 PolarHBondContact O-NH2 2.99Å; S16-W62 VanDerWaalsContact OG-CH2 3.29Å; S16-W62 WeakPolarHBondContact OG-CH2 3.31Å; S16-W62 WeakPolarHBondContact OG-CZ3 3.3Å |
| 17 | L | 61.7 | Low | 57.5 | Low | 100 Ų | 100 | 100.7 Ų | 100.7 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -77.3 | -31.6 | 171.5 | -70.9 | 162 | 0 | 0 | 0 | 113.2 | L13 E14 R15 T19 | L13-L17 WeakPolarHBondContact O-CG 3.22Å; L13-L17 PolarHBondContact O-N 3.5Å; E14-L17 WeakPolarHBondContact O-CA 3.37Å; E14-L17 WeakPolarHBondContact O-CB 3.45Å; E14-L17 PolarHBondContact O-N 3.16Å; R15-L17 VanDerWaalsContact C-N 3.29Å; L17-T19 PolarHBondContact O-N 3.12Å |
| 18 | L | 55.3 | Low | 55.5 | Low | 142 Ų | 142 | 101.6 Ų | 101.6 | 74% | 0.743 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -1.1 | -171.1 | -73.8 | 161.7 | 0 | 0 | 0 | 115.6 | E14 R15 E20 | E14-L18 WeakPolarHBondContact O-CG 3.32Å; E14-L18 PolarHBondContact O-N 3.11Å; R15-L18 PolarHBondContact O-N 2.96Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 3.42Å |
| 19 | T | 49.5 | Very low | 53.4 | Low | 112 Ų | 112 | 105.7 Ų | 105.7 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 12 | -179.3 | 31 | 0 | 0 | 0 | 0 | 115 | S16 L17 P21 | S16-T19 PolarHBondContact O-OG1 2.86Å; L17-T19 PolarHBondContact O-N 3.12Å; T19-P21 WeakPolarHBondContact O-CD 3.23Å |
| 20 | E | 44.2 | Very low | 51.2 | Low | 142 Ų | 142 | 116.1 Ų | 116.1 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 125.9 | 174.9 | -66.1 | -172 | 175.3 | 0 | 0 | 112.1 | L18 | L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 3.42Å |
| 21 | P | 38.6 | Very low | 48.8 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 75% | 0.753 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -76 | 130.3 | 141.7 | 30.5 | -24 | 0 | 0 | 0 | 108.1 | T19 | T19-P21 WeakPolarHBondContact O-CD 3.23Š|
| 22 | A | 32.8 | Very low | 46.8 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 72% | 0.719 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 133.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S24 | A22-S24 PolarHBondContact O-N 3Š|
| 23 | P | 39.3 | Very low | 44.5 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | trans | -76.4 | 114.7 | 169.8 | 29.1 | -29.4 | 0 | 0 | 0 | 109.3 | G25 | P23-G25 PolarHBondContact O-N 3.23Š| ||
| 24 | S | 37 | Very low | 42.6 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | trans | -65.2 | 112.7 | 165.3 | 38.4 | 0 | 0 | 0 | 0 | 110.8 | A22 | A22-S24 PolarHBondContact O-N 3Š| ||
| 25 | G | 33.4 | Very low | 40.5 | Very low | 83 Ų | 83 | 131 Ų | 131 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | 56.3 | 127.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | P23 | P23-G25 PolarHBondContact O-N 3.23Š| ||
| 26 | G | 29.6 | Very low | 38.9 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | 144.5 | 98.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 27 | H | 31.9 | Very low | 37.4 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 61.7 | 114.2 | 145.2 | -71.9 | -74.1 | 0 | 0 | 0 | 122.8 | ||||
| 28 | L | 33.9 | Very low | 36 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | 28.5 | 120.2 | 128.8 | -67.7 | 157.4 | 0 | 0 | 0 | 118.3 | |||||
| 29 | D | 29.7 | Very low | 34.9 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | -158.9 | 140.6 | 113.8 | -96.5 | -31.1 | 0 | 0 | 0 | 113.3 | |||||
| 30 | R | 33.8 | Very low | 34.3 | Very low | 232 Ų | 232 | 141.9 Ų | 141.9 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -72.8 | 135.4 | 174.7 | -74.6 | 170.5 | 164.3 | 175.3 | -5.7 | 109.7 | ||||
| 31 | N | 28 | Very low | 34.3 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | -158.9 | 125.1 | 126.6 | -121.7 | -3.6 | 0 | 0 | 0 | 111.6 | |||||
| 32 | T | 36.4 | Very low | 34.4 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -75.9 | 126.2 | 171.4 | 40.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 33 | D | 28.4 | Very low | 34.6 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -138 | 120.5 | 153.3 | -99.3 | -36.3 | 0 | 0 | 0 | 109.9 | Q35 | D33-Q35 PolarHBondContact O-N 3.2Š| ||
| 34 | V | 39.2 | Very low | 34.6 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 109.3 | -177.3 | 175.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 35 | Q | 34.7 | Very low | 34.8 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -97.7 | 115.9 | 162.3 | -71.9 | -173.4 | -11.8 | 0 | 0 | 108.1 | D33 E37 | D33-Q35 PolarHBondContact O-N 3.2Å; Q35-E37 PolarHBondContact O-N 3.39Å; Q35-E37 VanDerWaalsContact O-N 3.1Å | ||
| 36 | Q | 36.1 | Very low | 35.2 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | -57.3 | 107.7 | 176.7 | -76.8 | 165.1 | -13.6 | 0 | 0 | 109.4 | ||||
| 37 | E | 32.5 | Very low | 35.6 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | -67.4 | 130.3 | 162.3 | -65.9 | -175.7 | 153.7 | 0 | 0 | 108.3 | Q35 P39 Q42 | Q35-E37 PolarHBondContact O-N 3.39Å; Q35-E37 VanDerWaalsContact O-N 3.1Å; E37-P39 WeakPolarHBondContact O-CD 3.29Å; E37-Q42 PolarHBondContact OE2-NE2 3.19Å; E37-Q42 VanDerWaalsContact OE2-NE2 3.11Å | ||
| 38 | D | 32.5 | Very low | 36.3 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 57% | 0.572 | 75% | 0.748 | S | S | * | * | trans | -56.7 | 118.5 | 175.2 | -171.5 | -7.6 | 0 | 0 | 0 | 109.8 | R40 | D38-R40 PolarHBondContact O-N 2.86Š| ||
| 39 | P | 31.3 | Very low | 37.1 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 22.4 | -170.3 | 28.3 | -34.6 | 0 | 0 | 0 | 114.5 | E37 | E37-P39 WeakPolarHBondContact O-CD 3.29Š|
| 40 | R | 36.9 | Very low | 38.4 | Very low | 226 Ų | 226 | 144.3 Ų | 144.3 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 7.5 | 179.7 | -61 | -173.6 | -171.8 | -176 | 4.6 | 114.9 | D38 | D38-R40 PolarHBondContact O-N 2.86Š|
| 41 | V | 43.5 | Very low | 39.7 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -105.4 | -1 | 176.9 | -171 | 0 | 0 | 0 | 0 | 113 | ||
| 42 | Q | 41 | Very low | 41.6 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | trans | -107.3 | 73.9 | 179.4 | -74.2 | 164.9 | 5.4 | 0 | 0 | 111.2 | E37 | E37-Q42 PolarHBondContact OE2-NE2 3.19Å; E37-Q42 VanDerWaalsContact OE2-NE2 3.11Å | ||
| 43 | Q | 38.3 | Very low | 44.1 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 87% | 0.869 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -163.9 | 60.4 | 165 | -115.2 | 168.4 | 72.3 | 0 | 0 | 110.3 | ||
| 44 | D | 38 | Very low | 47 | Very low | 117 Ų | 117 | 128 Ų | 128 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -165.8 | 12.7 | 169.2 | -105.1 | -12.1 | 0 | 0 | 0 | 115.2 | R50 | D44-R50 PolarHBondContact O-NH1 3.26Å; D44-R50 IonicContact OD2-NH1 2.84Å |
| 45 | E | 41.5 | Very low | 49.6 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 66% | 0.659 | 60% | 0.602 | S | S | * | * | trans | -92.1 | 6.4 | -166.9 | -91.7 | -106.9 | 139.2 | 0 | 0 | 116.1 | R56 | E45-R56 IonicContact OE1-CZ 3.59Å; E45-R56 IonicContact OE1-NH1 3.75Å; E45-R56 IonicContact OE1-NH2 2.68Å; E45-R56 PolarHBondContact OE1-NH2 3.01Å | ||
| 46 | D | 41.1 | Very low | 52.3 | Low | 134 Ų | 134 | 120 Ų | 120 | 72% | 0.717 | 59% | 0.587 | S | S | * | * | trans | -135.2 | 48.1 | -173.1 | -133.4 | 12.1 | 0 | 0 | 0 | 115.9 | ||||
| 47 | H | 38.2 | Very low | 54.9 | Low | 135 Ų | 135 | 111.2 Ų | 111.2 | 63% | 0.625 | 55% | 0.546 | S | S | * | . | trans | -95.1 | 120.6 | 158.3 | -90.5 | 67.4 | 0 | 0 | 0 | 110.2 | D49 R50 | H47-D49 PolarHBondContact O-N 3.32Å; H47-R50 HydrophobicContact CB-CB 4.24Å; H47-R50 VanDerWaalsContact O-CB 3.31Å; H47-R50 WeakPolarHBondContact O-CB 3.38Å; H47-R50 PolarHBondContact O-N 3.43Å | ||
| 48 | P | 46.4 | Very low | 57.7 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 66% | 0.656 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -62.8 | -28.8 | -175 | 22.9 | -31.9 | 0 | 0 | 0 | 113.4 | R50 | P48-R50 VanDerWaalsContact C-N 3.28Å; P48-R50 PolarHBondContact O-N 2.96Å |
| 49 | D | 52.5 | Low | 60.3 | Low | 134 Ų | 134 | 105.7 Ų | 105.7 | 72% | 0.717 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -72.4 | -18.9 | 176.1 | -67 | -28.1 | 0 | 0 | 0 | 113.3 | H47 | H47-D49 PolarHBondContact O-N 3.32Š|
| 50 | R | 56 | Low | 63 | Low | 86 Ų | 86 | 104.4 Ų | 104.4 | 33% | 0.325 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -75.4 | -29.1 | -177.1 | -152.3 | 179.4 | -180 | 167.5 | 6.3 | 111.9 | D44 H47 P48 D52 L53 I54 E77 | D44-R50 PolarHBondContact O-NH1 3.26Å; D44-R50 IonicContact OD2-NH1 2.84Å; H47-R50 HydrophobicContact CB-CB 4.24Å; H47-R50 VanDerWaalsContact O-CB 3.31Å; H47-R50 WeakPolarHBondContact O-CB 3.38Å; H47-R50 PolarHBondContact O-N 3.43Å; P48-R50 VanDerWaalsContact C-N 3.28Å; P48-R50 PolarHBondContact O-N 2.96Å; R50-D52 PolarHBondContact O-N 3Å; R50-L53 PolarHBondContact O-N 3.08Å; R50-L53 VanDerWaalsContact O-N 3.12Å; R50-I54 HydrophobicContact CG-CD1 4.35Å; R50-I54 WeakPolarHBondContact O-CD1 3.07Å; R50-I54 VanDerWaalsContact O-CG1 3.3Å; R50-I54 WeakPolarHBondContact O-CG1 3.28Å; R50-E77 IonicContact CZ-OE1 2.73Å; R50-E77 IonicContact NE-OE1 3.93Å; R50-E77 PolarHBondContact NE-OE1 3.38Å; R50-E77 IonicContact NE-OE2 2.96Å; R50-E77 IonicContact NH2-OE1 2.73Å; R50-E77 PolarHBondContact NH2-OE1 2.53Å |
| 51 | K | 60.9 | Low | 65.5 | Low | 135 Ų | 135 | 97.9 Ų | 97.9 | 59% | 0.587 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -62 | -28 | -176.2 | -74.2 | -176 | 179.8 | 171.1 | 0 | 113.8 | L53 | K51-L53 VanDerWaalsContact C-N 3.26Å; K51-L53 PolarHBondContact O-N 3.35Å |
| 52 | D | 68.9 | Low | 67.7 | Low | 118 Ų | 118 | 93.5 Ų | 93.5 | 63% | 0.631 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -79 | -7.9 | -179.5 | -72.4 | -12.1 | 0 | 0 | 0 | 113.8 | R50 | R50-D52 PolarHBondContact O-N 3Š|
| 53 | L | 87.3 | Confident | 70.1 | Confident | 46 Ų | 46 | 92 Ų | 92 | 24% | 0.241 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -108.1 | 4.3 | -178.4 | -56.6 | 177 | 0 | 0 | 0 | 112.7 | R50 K51 Y74 Q76 E77 | R50-L53 PolarHBondContact O-N 3.08Å; R50-L53 VanDerWaalsContact O-N 3.12Å; K51-L53 VanDerWaalsContact C-N 3.26Å; K51-L53 PolarHBondContact O-N 3.35Å; L53-Y74 HydrophobicContact CD2-CD2 4.26Å; L53-Q76 HydrophobicContact CB-CB 4.22Å; L53-Q76 HydrophobicContact CB-CG 4.21Å; L53-Q76 HydrophobicContact CD1-CG 4.16Å; L53-Q76 PolarHBondContact O-N 3.46Å; L53-E77 PolarHBondContact O-N 3.2Å; L53-E77 VanDerWaalsContact O-N 3.11Å |
| 54 | I | 90.4 | Very high | 72.6 | Confident | 27 Ų | 27 | 88.3 Ų | 88.3 | 14% | 0.138 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.7 | -173.6 | -55.6 | 168.6 | 0 | 0 | 0 | 110.1 | R50 R56 E77 H79 | R50-I54 HydrophobicContact CG-CD1 4.35Å; R50-I54 WeakPolarHBondContact O-CD1 3.07Å; R50-I54 VanDerWaalsContact O-CG1 3.3Å; R50-I54 WeakPolarHBondContact O-CG1 3.28Å; I54-R56 HydrophobicContact CG2-CG 3.75Å; I54-E77 CarbonylContact C-O 3.5Å; I54-E77 WeakPolarHBondContact CA-O 3.42Å; I54-E77 HydrophobicContact CB-CB 4.49Å; I54-E77 HydrophobicContact CG1-CB 4.05Å; I54-E77 HydrophobicContact CG1-CG 4.42Å; I54-E77 HydrophobicContact CG2-CB 4.28Å; I54-H79 WeakPolarHBondContact CG2-CD2 3.3Å |
| 55 | F | 92.8 | Very high | 75.2 | Confident | 7 Ų | 7 | 83.7 Ų | 83.7 | 3% | 0.031 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.7 | 167.2 | 172.1 | -108.9 | 0 | 0 | 0 | 110.1 | L9 L57 F65 P66 L69 L75 E77 W78 H79 V80 | L9-F55 HydrophobicContact CD1-CE2 4.29Å; L9-F55 HydrophobicContact CD2-CD2 4.14Å; L9-F55 HydrophobicContact CD2-CE2 4.32Å; F55-L57 HydrophobicContact CE1-CB 4.02Å; F55-L57 HydrophobicContact CZ-CB 3.94Å; F55-L57 HydrophobicContact CZ-CD1 4.23Å; F55-L57 HydrophobicContact CZ-CD2 4.29Å; F55-L57 HydrophobicContact CZ-CG 4.4Å; F55-F65 HydrophobicContact CE1-CD1 4.14Å; F55-F65 HydrophobicContact CE1-CE1 4.18Å; F55-P66 HydrophobicContact CZ-CG 4.33Å; F55-L69 HydrophobicContact CB-CD1 4.44Å; F55-L69 HydrophobicContact CD1-CD1 4.13Å; F55-L69 HydrophobicContact CD1-CD2 4.24Å; F55-L69 HydrophobicContact CD2-CD1 3.64Å; F55-L69 HydrophobicContact CE1-CD1 4.28Å; F55-L69 HydrophobicContact CE1-CD2 3.91Å; F55-L69 HydrophobicContact CE2-CD1 3.81Å; F55-L69 HydrophobicContact CG-CD1 3.82Å; F55-L69 HydrophobicContact CZ-CD1 4.12Å; F55-L69 HydrophobicContact CZ-CD2 4.11Å; F55-L75 HydrophobicContact CB-CD1 3.71Å; F55-L75 HydrophobicContact CG-CD1 4.5Å; F55-E77 PolarHBondContact N-O 2.82Å; F55-W78 HydrophobicContact CB-CG 4.38Å; F55-W78 HydrophobicContact CD1-CD2 4.18Å; F55-W78 HydrophobicContact CD1-CG 4.1Å; F55-W78 WeakPolarHBondContact O-CA 3.33Å; F55-H79 PolarHBondContact O-N 3.49Å; F55-V80 HydrophobicContact CD1-CG2 4.25Å; F55-V80 HydrophobicContact CE1-CG2 3.88Å |
| 56 | R | 91.4 | Very high | 77.5 | Confident | 129 Ų | 129 | 77 Ų | 77 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.8 | 177.6 | -57.3 | -167.8 | -179.5 | -137.7 | -1.7 | 110.4 | E45 I54 H79 | E45-R56 IonicContact OE1-CZ 3.59Å; E45-R56 IonicContact OE1-NH1 3.75Å; E45-R56 IonicContact OE1-NH2 2.68Å; E45-R56 PolarHBondContact OE1-NH2 3.01Å; I54-R56 HydrophobicContact CG2-CG 3.75Å; R56-H79 CarbonylContact C-O 3.35Å; R56-H79 VanDerWaalsContact CA-O 3.3Å; R56-H79 WeakPolarHBondContact CA-O 3.18Å; R56-H79 HydrophobicContact CG-CB 4.38Å |
| 57 | L | 91.5 | Very high | 79.7 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 119.1 | 176.1 | -165.2 | 73.1 | 0 | 0 | 0 | 109.4 | L13 F55 W62 H79 V80 R81 T83 I85 | L13-L57 HydrophobicContact CD2-CD1 3.63Å; F55-L57 HydrophobicContact CE1-CB 4.02Å; F55-L57 HydrophobicContact CZ-CB 3.94Å; F55-L57 HydrophobicContact CZ-CD1 4.23Å; F55-L57 HydrophobicContact CZ-CD2 4.29Å; F55-L57 HydrophobicContact CZ-CG 4.4Å; L57-W62 HydrophobicContact CD1-CD2 3.64Å; L57-W62 HydrophobicContact CD1-CE3 4.2Å; L57-W62 HydrophobicContact CD1-CG 4.03Å; L57-W62 HydrophobicContact CD1-CH2 4.1Å; L57-W62 HydrophobicContact CD1-CZ2 3.54Å; L57-W62 HydrophobicContact CD1-CZ3 4.44Å; L57-W62 HydrophobicContact CD2-CB 4.14Å; L57-W62 HydrophobicContact CD2-CD2 4.22Å; L57-W62 HydrophobicContact CD2-CG 3.98Å; L57-W62 HydrophobicContact CG-CD2 4.08Å; L57-W62 HydrophobicContact CG-CG 3.92Å; L57-H79 PolarHBondContact N-O 2.88Å; L57-V80 HydrophobicContact CB-CB 4.34Å; L57-V80 HydrophobicContact CB-CG1 4.07Å; L57-V80 HydrophobicContact CB-CG2 3.9Å; L57-V80 HydrophobicContact CD2-CG1 4.06Å; L57-V80 HydrophobicContact CG-CG1 4.49Å; L57-V80 CarbonylContact O-C 3.36Å; L57-V80 VanDerWaalsContact O-CA 3.23Å; L57-V80 WeakPolarHBondContact O-CA 3.46Å; L57-R81 PolarHBondContact O-N 3.32Å; L57-T83 HydrophobicContact CD2-CG2 4.38Å; L57-T83 HydrophobicContact CG-CG2 4.4Å; L57-I85 HydrophobicContact CD2-CD1 3.71Å |
| 58 | E | 91 | Very high | 82.1 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.3 | 177.2 | -176.5 | 163.6 | -156.9 | 0 | 0 | 111 | W62 R81 R82 | E58-W62 VanDerWaalsContact O-CD1 3.31Å; E58-W62 PolarHBondContact O-NE1 3.17Å; E58-R81 VanDerWaalsContact CA-O 3.32Å; E58-R81 WeakPolarHBondContact CA-O 3.19Å; E58-R82 IonicContact OE1-CZ 3.85Å; E58-R82 IonicContact OE1-NH1 3.56Å; E58-R82 PolarHBondContact OE1-NH1 3.2Å |
| 59 | G | 87.5 | Confident | 84.2 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 26% | 0.258 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 114.1 | 148.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R61 W62 R82 T83 | G59-R61 PolarHBondContact O-N 2.98Å; G59-W62 VanDerWaalsContact O-CD1 3.24Å; G59-R82 CarbonylContact C-O 3.57Å; G59-T83 VanDerWaalsContact O-CA 3.3Å; G59-T83 WeakPolarHBondContact O-CA 3.4Å; G59-T83 WeakPolarHBondContact O-CG2 3.5Å |
| 60 | D | 88.8 | Confident | 86 | Confident | 91 Ų | 91 | 67.1 Ų | 67.1 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.7 | -169.5 | 74 | -27.6 | 0 | 0 | 0 | 114.2 | W62 R82 R84 | D60-W62 VanDerWaalsContact C-N 3.33Å; D60-R82 WeakPolarHBondContact CA-O 3.49Å; D60-R82 PolarHBondContact N-O 2.87Å; D60-R84 HydrophobicContact CB-CG 4.44Å; D60-R84 WeakPolarHBondContact O-CD 3.27Å; D60-R84 WeakPolarHBondContact O-CG 3.46Å; D60-R84 PolarHBondContact O-NE 3.22Å; D60-R84 VanDerWaalsContact O-NE 3.17Å; D60-R84 IonicContact OD2-CZ 2.84Å; D60-R84 IonicContact OD2-NE 3.19Å; D60-R84 IonicContact OD2-NH2 3.89Å; D60-R84 PolarHBondContact OD2-NH2 3.24Å |
| 61 | R | 88.2 | Confident | 87.6 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.6 | 176.1 | 68.7 | 179.2 | -176.3 | -142.3 | -0.9 | 113.8 | S16 G59 L63 | S16-R61 VanDerWaalsContact C-CZ 3.45Å; S16-R61 PolarHBondContact O-NE 2.81Å; S16-R61 PolarHBondContact O-NH1 3.1Å; S16-R61 PolarHBondContact O-NH2 2.99Å; G59-R61 PolarHBondContact O-N 2.98Å; R61-L63 PolarHBondContact O-N 3.36Å |
| 62 | W | 89.3 | Confident | 88.9 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | trans | -79 | 117.7 | -175.6 | -58.3 | 109.1 | 0 | 0 | 0 | 109.9 | Y12 L13 S16 L57 E58 G59 D60 T83 R84 I85 | Y12-W62 HydrophobicContact CD1-CH2 4.14Å; Y12-W62 HydrophobicContact CD1-CZ3 4.13Å; Y12-W62 HydrophobicContact CE1-CE3 4.26Å; Y12-W62 AromaticContact CE1-CH2 3.68Å; Y12-W62 HydrophobicContact CE1-CH2 3.68Å; Y12-W62 AromaticContact CE1-CZ3 3.23Å; Y12-W62 HydrophobicContact CE1-CZ3 3.23Å; Y12-W62 AromaticContact CZ-CZ3 3.7Å; L13-W62 HydrophobicContact CD2-CH2 3.82Å; L13-W62 HydrophobicContact CD2-CZ2 3.81Å; S16-W62 VanDerWaalsContact OG-CH2 3.29Å; S16-W62 WeakPolarHBondContact OG-CH2 3.31Å; S16-W62 WeakPolarHBondContact OG-CZ3 3.3Å; L57-W62 HydrophobicContact CD1-CD2 3.64Å; L57-W62 HydrophobicContact CD1-CE3 4.2Å; L57-W62 HydrophobicContact CD1-CG 4.03Å; L57-W62 HydrophobicContact CD1-CH2 4.1Å; L57-W62 HydrophobicContact CD1-CZ2 3.54Å; L57-W62 HydrophobicContact CD1-CZ3 4.44Å; L57-W62 HydrophobicContact CD2-CB 4.14Å; L57-W62 HydrophobicContact CD2-CD2 4.22Å; L57-W62 HydrophobicContact CD2-CG 3.98Å; L57-W62 HydrophobicContact CG-CD2 4.08Å; L57-W62 HydrophobicContact CG-CG 3.92Å; E58-W62 VanDerWaalsContact O-CD1 3.31Å; E58-W62 PolarHBondContact O-NE1 3.17Å; G59-W62 VanDerWaalsContact O-CD1 3.24Å; D60-W62 VanDerWaalsContact C-N 3.33Å; W62-T83 HydrophobicContact CB-CG2 3.96Å; W62-T83 HydrophobicContact CG-CG2 4.34Å; W62-R84 CarbonylContact O-C 3.51Å; W62-R84 WeakPolarHBondContact O-CA 3.33Å; W62-R84 WeakPolarHBondContact O-CB 3.45Å; W62-R84 PolarHBondContact O-N 3.21Å; W62-I85 HydrophobicContact CB-CD1 4.39Å; W62-I85 HydrophobicContact CB-CG1 4.44Å; W62-I85 PolarHBondContact O-N 3.09Å | ||
| 63 | L | 92.1 | Very high | 89.9 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | trans | -98.6 | -28.7 | 177.7 | -64.7 | 171.4 | 0 | 0 | 0 | 112.1 | R61 R84 I85 | R61-L63 PolarHBondContact O-N 3.36Å; L63-R84 HydrophobicContact CD2-CB 3.93Å; L63-I85 WeakPolarHBondContact O-CA 3.39Å | ||
| 64 | D | 91.8 | Very high | 90 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -146.1 | 162.5 | -177.1 | -62.3 | -65.6 | 0 | 0 | 0 | 110.5 | ||
| 65 | F | 91.4 | Very high | 90 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | trans | -74.2 | 144.9 | 171 | -72.8 | -95.7 | 0 | 0 | 0 | 111.4 | F55 R67 L69 W78 V80 I85 L88 P89 I103 | F55-F65 HydrophobicContact CE1-CD1 4.14Å; F55-F65 HydrophobicContact CE1-CE1 4.18Å; F65-R67 PolarHBondContact O-N 2.84Å; F65-L69 HydrophobicContact CD1-CD2 3.83Å; F65-W78 HydrophobicContact CD1-CZ3 4.09Å; F65-W78 AromaticContact CE1-CE3 3.87Å; F65-W78 HydrophobicContact CE1-CE3 3.87Å; F65-W78 AromaticContact CE1-CZ3 3.69Å; F65-W78 HydrophobicContact CE1-CZ3 3.69Å; F65-W78 HydrophobicContact CZ-CE3 4.45Å; F65-W78 HydrophobicContact CZ-CZ3 4.25Å; F65-V80 HydrophobicContact CE1-CG2 3.76Å; F65-V80 HydrophobicContact CZ-CG2 4.2Å; F65-I85 HydrophobicContact CD2-CD1 3.99Å; F65-I85 HydrophobicContact CD2-CG2 3.87Å; F65-I85 HydrophobicContact CE2-CD1 3.99Å; F65-I85 HydrophobicContact CE2-CG2 3.59Å; F65-I85 HydrophobicContact CG-CD1 4.31Å; F65-I85 HydrophobicContact CZ-CD1 4.27Å; F65-L88 HydrophobicContact CE2-CD2 4.13Å; F65-L88 HydrophobicContact CZ-CD2 4.17Å; F65-P89 HydrophobicContact CB-CB 4.49Å; F65-P89 HydrophobicContact CB-CG 4.4Å; F65-P89 HydrophobicContact CD2-CG 4.26Å; F65-P89 HydrophobicContact CG-CG 4.22Å; F65-I103 HydrophobicContact CZ-CD1 3.96Å | ||
| 66 | P | 89.2 | Confident | 90.1 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | trans | -61.1 | 136.4 | 172.3 | 17.2 | -23.6 | 0 | 0 | 0 | 111.4 | L9 Y12 F55 E68 L69 | L9-P66 HydrophobicContact CD1-CB 4.03Å; L9-P66 HydrophobicContact CD1-CG 3.63Å; Y12-P66 HydrophobicContact CD1-CB 3.69Å; Y12-P66 HydrophobicContact CD1-CG 4.15Å; Y12-P66 HydrophobicContact CE1-CB 3.53Å; Y12-P66 HydrophobicContact CE1-CG 3.96Å; Y12-P66 HydrophobicContact CG-CB 4.32Å; F55-P66 HydrophobicContact CZ-CG 4.33Å; P66-E68 PolarHBondContact O-N 2.68Å; P66-L69 HydrophobicContact CG-CB 4.31Å; P66-L69 WeakPolarHBondContact O-CB 3.42Å; P66-L69 PolarHBondContact O-N 3.47Å | ||
| 67 | R | 87.9 | Confident | 90.3 | Very high | 181 Ų | 181 | 55 Ų | 55 | 68% | 0.683 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -66.3 | -27.5 | 176.7 | -73.6 | -173.3 | -179.6 | -90.1 | -0.5 | 111.9 | F65 L69 Q70 | F65-R67 PolarHBondContact O-N 2.84Å; R67-L69 PolarHBondContact O-N 2.93Å; R67-Q70 WeakPolarHBondContact O-CB 3.4Å; R67-Q70 VanDerWaalsContact O-CD 3.31Å; R67-Q70 WeakPolarHBondContact O-CG 3.47Å; R67-Q70 PolarHBondContact O-N 2.79Å; R67-Q70 PolarHBondContact O-NE2 2.76Å |
| 68 | E | 88.6 | Confident | 90.5 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -61.7 | -23.9 | 177.7 | -64.8 | 69.2 | -156.4 | 0 | 0 | 112.1 | Q8 P66 Q70 W71 | Q8-E68 HydrophobicContact CB-CG 4.39Å; P66-E68 PolarHBondContact O-N 2.68Å; E68-Q70 PolarHBondContact O-N 3.12Å; E68-Q70 VanDerWaalsContact O-N 3.15Å; E68-W71 HydrophobicContact CB-CE3 4.1Å; E68-W71 HydrophobicContact CB-CZ3 4.01Å; E68-W71 HydrophobicContact CG-CE3 4.36Å; E68-W71 HydrophobicContact CG-CZ3 3.77Å; E68-W71 PolarHBondContact O-N 2.98Å; E68-W71 VanDerWaalsContact O-N 3.09Å |
| 69 | L | 90.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -58.1 | -29.5 | 177.4 | -164.6 | 65.3 | 0 | 0 | 0 | 111.5 | L9 F55 F65 P66 R67 W71 T72 L75 W78 F91 F95 | L9-L69 HydrophobicContact CD1-CD1 4.49Å; L9-L69 HydrophobicContact CD2-CD1 4.1Å; F55-L69 HydrophobicContact CB-CD1 4.44Å; F55-L69 HydrophobicContact CD1-CD1 4.13Å; F55-L69 HydrophobicContact CD1-CD2 4.24Å; F55-L69 HydrophobicContact CD2-CD1 3.64Å; F55-L69 HydrophobicContact CE1-CD1 4.28Å; F55-L69 HydrophobicContact CE1-CD2 3.91Å; F55-L69 HydrophobicContact CE2-CD1 3.81Å; F55-L69 HydrophobicContact CG-CD1 3.82Å; F55-L69 HydrophobicContact CZ-CD1 4.12Å; F55-L69 HydrophobicContact CZ-CD2 4.11Å; F65-L69 HydrophobicContact CD1-CD2 3.83Å; P66-L69 HydrophobicContact CG-CB 4.31Å; P66-L69 WeakPolarHBondContact O-CB 3.42Å; P66-L69 PolarHBondContact O-N 3.47Å; R67-L69 PolarHBondContact O-N 2.93Å; L69-W71 PolarHBondContact O-N 2.91Å; L69-T72 WeakPolarHBondContact CD1-OG1 3.41Å; L69-T72 PolarHBondContact O-N 2.89Å; L69-T72 PolarHBondContact O-OG1 2.82Å; L69-L75 HydrophobicContact CD1-CD1 3.88Å; L69-W78 HydrophobicContact CD1-CZ2 4.25Å; L69-W78 HydrophobicContact CD2-CH2 3.28Å; L69-W78 HydrophobicContact CD2-CZ2 3.32Å; L69-W78 HydrophobicContact CD2-CZ3 3.93Å; L69-W78 HydrophobicContact CG-CH2 4.04Å; L69-W78 HydrophobicContact CG-CZ2 3.66Å; L69-F91 HydrophobicContact CB-CE2 3.94Å; L69-F91 HydrophobicContact CB-CZ 4.11Å; L69-F91 HydrophobicContact CD2-CE2 4.37Å; L69-F91 HydrophobicContact CG-CE2 4.31Å; L69-F95 HydrophobicContact CG-CZ 4.08Å; L69-F95 VanDerWaalsContact O-CZ 3.22Å; L69-F95 WeakPolarHBondContact O-CZ 3.36Å |
| 70 | Q | 90.8 | Very high | 91.1 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -57.2 | -20.8 | 177.7 | 81.3 | -170.3 | -42.5 | 0 | 0 | 113.9 | R67 E68 T73 F91 | R67-Q70 WeakPolarHBondContact O-CB 3.4Å; R67-Q70 VanDerWaalsContact O-CD 3.31Å; R67-Q70 WeakPolarHBondContact O-CG 3.47Å; R67-Q70 PolarHBondContact O-N 2.79Å; R67-Q70 PolarHBondContact O-NE2 2.76Å; E68-Q70 PolarHBondContact O-N 3.12Å; E68-Q70 VanDerWaalsContact O-N 3.15Å; Q70-T73 WeakPolarHBondContact O-CG2 3.3Å; Q70-F91 HydrophobicContact CB-CB 4.21Å; Q70-F91 HydrophobicContact CB-CD1 4.05Å; Q70-F91 HydrophobicContact CB-CD2 3.71Å; Q70-F91 HydrophobicContact CB-CE1 4.36Å; Q70-F91 HydrophobicContact CB-CE2 4.08Å; Q70-F91 HydrophobicContact CB-CG 3.73Å; Q70-F91 HydrophobicContact CB-CZ 4.39Å |
| 71 | W | 89.1 | Confident | 91.4 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -92.3 | -3.3 | 178.3 | -53.7 | -43.9 | 0 | 0 | 0 | 113.3 | E5 Q8 E68 L69 | E5-W71 HydrophobicContact CB-CB 4.18Å; E5-W71 HydrophobicContact CG-CB 3.74Å; E5-W71 HydrophobicContact CG-CG 4.48Å; Q8-W71 VanDerWaalsContact OE1-CZ3 3.24Å; E68-W71 HydrophobicContact CB-CE3 4.1Å; E68-W71 HydrophobicContact CB-CZ3 4.01Å; E68-W71 HydrophobicContact CG-CE3 4.36Å; E68-W71 HydrophobicContact CG-CZ3 3.77Å; E68-W71 PolarHBondContact O-N 2.98Å; E68-W71 VanDerWaalsContact O-N 3.09Å; L69-W71 PolarHBondContact O-N 2.91Å |
| 72 | T | 89.4 | Confident | 91.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -105 | 37 | -177.8 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | L9 L69 Y74 L75 F95 | L9-T72 HydrophobicContact CD2-CG2 4.25Å; L69-T72 WeakPolarHBondContact CD1-OG1 3.41Å; L69-T72 PolarHBondContact O-N 2.89Å; L69-T72 PolarHBondContact O-OG1 2.82Å; T72-Y74 HydrophobicContact CG2-CE1 4.14Å; T72-Y74 PolarHBondContact O-N 2.8Å; T72-L75 WeakPolarHBondContact O-CB 3.47Å; T72-L75 VanDerWaalsContact O-CG 3.24Å; T72-L75 WeakPolarHBondContact O-CG 3.19Å; T72-L75 PolarHBondContact O-N 2.84Å; T72-L75 WeakPolarHBondContact OG1-CD1 3.4Å; T72-F95 VanDerWaalsContact O-CE1 3.31Å; T72-F95 WeakPolarHBondContact O-CE1 3.11Å | ||
| 73 | T | 89.4 | Confident | 91.8 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 33% | 0.331 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -8.2 | -177.5 | 58.1 | 0 | 0 | 0 | 0 | 114.8 | Q70 L75 Q94 | Q70-T73 WeakPolarHBondContact O-CG2 3.3Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-Q94 HydrophobicContact CG2-CB 3.85Å |
| 74 | Y | 89 | Confident | 91.8 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -12.3 | 173.1 | 59.9 | -95.3 | 0 | 0 | 0 | 114 | K2 L6 L53 T72 | K2-Y74 HydrophobicContact CB-CE1 4.47Å; K2-Y74 HydrophobicContact CD-CD1 4.44Å; K2-Y74 HydrophobicContact CD-CE1 4.48Å; K2-Y74 HydrophobicContact CG-CD1 4.32Å; K2-Y74 HydrophobicContact CG-CE1 4.09Å; L6-Y74 WeakPolarHBondContact CD1-OH 3.34Å; L53-Y74 HydrophobicContact CD2-CD2 4.26Å; T72-Y74 HydrophobicContact CG2-CE1 4.14Å; T72-Y74 PolarHBondContact O-N 2.8Å |
| 75 | L | 91.8 | Very high | 92 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | trans | -64 | 142.2 | 176.2 | -67.4 | 168.8 | 0 | 0 | 0 | 110.7 | F55 L69 T72 T73 | F55-L75 HydrophobicContact CB-CD1 3.71Å; F55-L75 HydrophobicContact CG-CD1 4.5Å; L69-L75 HydrophobicContact CD1-CD1 3.88Å; T72-L75 WeakPolarHBondContact O-CB 3.47Å; T72-L75 VanDerWaalsContact O-CG 3.24Å; T72-L75 WeakPolarHBondContact O-CG 3.19Å; T72-L75 PolarHBondContact O-N 2.84Å; T72-L75 WeakPolarHBondContact OG1-CD1 3.4Å; T73-L75 VanDerWaalsContact C-N 3.34Å | ||
| 76 | Q | 94.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | trans | -109.1 | -27.5 | -178.4 | -63 | -171.5 | 0.4 | 0 | 0 | 112.4 | L53 L98 T99 V100 | L53-Q76 HydrophobicContact CB-CB 4.22Å; L53-Q76 HydrophobicContact CB-CG 4.21Å; L53-Q76 HydrophobicContact CD1-CG 4.16Å; L53-Q76 PolarHBondContact O-N 3.46Å; Q76-L98 CarbonylContact O-C 3.44Å; Q76-L98 WeakPolarHBondContact O-CA 3.46Å; Q76-L98 VanDerWaalsContact O-CD1 3.29Å; Q76-L98 WeakPolarHBondContact O-CD1 3.37Å; Q76-T99 PolarHBondContact O-N 3.38Å; Q76-T99 PolarHBondContact O-OG1 2.72Å; Q76-V100 PolarHBondContact O-N 2.92Å; Q76-V100 VanDerWaalsContact O-N 3.1Å | ||
| 77 | E | 95.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.4 | -173 | -52 | -175.5 | -176.8 | 0 | 0 | 110.8 | R50 L53 I54 F55 H79 V100 | R50-E77 IonicContact CZ-OE1 2.73Å; R50-E77 IonicContact NE-OE1 3.93Å; R50-E77 PolarHBondContact NE-OE1 3.38Å; R50-E77 IonicContact NE-OE2 2.96Å; R50-E77 IonicContact NH2-OE1 2.73Å; R50-E77 PolarHBondContact NH2-OE1 2.53Å; L53-E77 PolarHBondContact O-N 3.2Å; L53-E77 VanDerWaalsContact O-N 3.11Å; I54-E77 CarbonylContact C-O 3.5Å; I54-E77 WeakPolarHBondContact CA-O 3.42Å; I54-E77 HydrophobicContact CB-CB 4.49Å; I54-E77 HydrophobicContact CG1-CB 4.05Å; I54-E77 HydrophobicContact CG1-CG 4.42Å; I54-E77 HydrophobicContact CG2-CB 4.28Å; F55-E77 PolarHBondContact N-O 2.82Å; E77-H79 IonicContact OE2-NE2 3.89Å; E77-V100 CarbonylContact C-O 3.46Å; E77-V100 WeakPolarHBondContact CA-O 3.24Å; E77-V100 HydrophobicContact CB-CB 4.01Å; E77-V100 HydrophobicContact CG-CB 3.89Å; E77-V100 HydrophobicContact CG-CG2 4.02Å |
| 78 | W | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.8 | 175.8 | -77.1 | 22.3 | 0 | 0 | 0 | 109.4 | F55 F65 L69 P89 L92 F95 L98 V100 L101 E102 | F55-W78 HydrophobicContact CB-CG 4.38Å; F55-W78 HydrophobicContact CD1-CD2 4.18Å; F55-W78 HydrophobicContact CD1-CG 4.1Å; F55-W78 WeakPolarHBondContact O-CA 3.33Å; F65-W78 HydrophobicContact CD1-CZ3 4.09Å; F65-W78 AromaticContact CE1-CE3 3.87Å; F65-W78 HydrophobicContact CE1-CE3 3.87Å; F65-W78 AromaticContact CE1-CZ3 3.69Å; F65-W78 HydrophobicContact CE1-CZ3 3.69Å; F65-W78 HydrophobicContact CZ-CE3 4.45Å; F65-W78 HydrophobicContact CZ-CZ3 4.25Å; L69-W78 HydrophobicContact CD1-CZ2 4.25Å; L69-W78 HydrophobicContact CD2-CH2 3.28Å; L69-W78 HydrophobicContact CD2-CZ2 3.32Å; L69-W78 HydrophobicContact CD2-CZ3 3.93Å; L69-W78 HydrophobicContact CG-CH2 4.04Å; L69-W78 HydrophobicContact CG-CZ2 3.66Å; W78-P89 HydrophobicContact CH2-CG 3.99Å; W78-P89 HydrophobicContact CZ3-CG 4.05Å; W78-L92 HydrophobicContact CE3-CD1 4.3Å; W78-L92 HydrophobicContact CH2-CD1 3.97Å; W78-L92 HydrophobicContact CZ3-CD1 3.76Å; W78-F95 HydrophobicContact CH2-CD2 4.04Å; W78-F95 AromaticContact CH2-CE2 3.6Å; W78-F95 HydrophobicContact CH2-CE2 3.6Å; W78-F95 AromaticContact CH2-CZ 3.95Å; W78-F95 HydrophobicContact CH2-CZ 3.95Å; W78-F95 AromaticContact CZ2-CD1 3.85Å; W78-F95 HydrophobicContact CZ2-CD1 3.85Å; W78-F95 AromaticContact CZ2-CD2 3.72Å; W78-F95 HydrophobicContact CZ2-CD2 3.72Å; W78-F95 AromaticContact CZ2-CE1 3.52Å; W78-F95 HydrophobicContact CZ2-CE1 3.52Å; W78-F95 AromaticContact CZ2-CE2 3.35Å; W78-F95 HydrophobicContact CZ2-CE2 3.35Å; W78-F95 AromaticContact CZ2-CG 3.99Å; W78-F95 HydrophobicContact CZ2-CG 3.99Å; W78-F95 AromaticContact CZ2-CZ 3.32Å; W78-F95 HydrophobicContact CZ2-CZ 3.32Å; W78-L98 HydrophobicContact CB-CD1 4.42Å; W78-L98 VanDerWaalsContact CD1-CD1 3.4Å; W78-L98 HydrophobicContact CD2-CD1 4.38Å; W78-L98 HydrophobicContact CG-CD1 3.84Å; W78-V100 PolarHBondContact N-O 3.22Å; W78-L101 HydrophobicContact CB-CD1 3.73Å; W78-L101 HydrophobicContact CD2-CD1 4.22Å; W78-L101 HydrophobicContact CE3-CD1 3.76Å; W78-L101 HydrophobicContact CG-CD1 4.27Å; W78-E102 PolarHBondContact O-N 3.42Å |
| 79 | H | 95.6 | Very high | 92.9 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 103.5 | 172.5 | -52.5 | -90.4 | 0 | 0 | 0 | 109.4 | I54 F55 R56 L57 E77 E102 | I54-H79 WeakPolarHBondContact CG2-CD2 3.3Å; F55-H79 PolarHBondContact O-N 3.49Å; R56-H79 CarbonylContact C-O 3.35Å; R56-H79 VanDerWaalsContact CA-O 3.3Å; R56-H79 WeakPolarHBondContact CA-O 3.18Å; R56-H79 HydrophobicContact CG-CB 4.38Å; L57-H79 PolarHBondContact N-O 2.88Å; E77-H79 IonicContact OE2-NE2 3.89Å; H79-E102 CarbonylContact C-O 3.25Å; H79-E102 WeakPolarHBondContact CA-O 3.26Å; H79-E102 IonicContact CE1-OE2 3.87Å; H79-E102 PolarHBondContact CE1-OE2 2.76Å; H79-E102 IonicContact CG-OE2 3.98Å; H79-E102 IonicContact ND1-OE2 3.55Å; H79-E102 PolarHBondContact ND1-OE2 3.47Å |
| 80 | V | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 106.4 | -179.8 | -179 | 0 | 0 | 0 | 0 | 109.5 | F55 L57 F65 T83 I85 E102 I103 N106 | F55-V80 HydrophobicContact CD1-CG2 4.25Å; F55-V80 HydrophobicContact CE1-CG2 3.88Å; L57-V80 HydrophobicContact CB-CB 4.34Å; L57-V80 HydrophobicContact CB-CG1 4.07Å; L57-V80 HydrophobicContact CB-CG2 3.9Å; L57-V80 HydrophobicContact CD2-CG1 4.06Å; L57-V80 HydrophobicContact CG-CG1 4.49Å; L57-V80 CarbonylContact O-C 3.36Å; L57-V80 VanDerWaalsContact O-CA 3.23Å; L57-V80 WeakPolarHBondContact O-CA 3.46Å; F65-V80 HydrophobicContact CE1-CG2 3.76Å; F65-V80 HydrophobicContact CZ-CG2 4.2Å; V80-T83 HydrophobicContact CG1-CG2 3.73Å; V80-I85 HydrophobicContact CG1-CD1 4.03Å; V80-E102 PolarHBondContact N-O 2.69Å; V80-I103 HydrophobicContact CB-CB 4.43Å; V80-I103 HydrophobicContact CB-CG1 4.11Å; V80-I103 HydrophobicContact CB-CG2 3.93Å; V80-I103 HydrophobicContact CG1-CG2 4.09Å; V80-I103 CarbonylContact O-C 3Å; V80-I103 WeakPolarHBondContact O-CA 3.27Å; V80-N106 PolarHBondContact O-ND2 2.9Å |
| 81 | R | 94 | Very high | 93.1 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145.9 | -172 | -58 | -167.1 | 174.4 | -159.7 | -1.4 | 111.1 | L57 E58 T83 E102 P104 | L57-R81 PolarHBondContact O-N 3.32Å; E58-R81 VanDerWaalsContact CA-O 3.32Å; E58-R81 WeakPolarHBondContact CA-O 3.19Å; R81-T83 VanDerWaalsContact C-N 3.29Å; R81-T83 PolarHBondContact O-N 3.49Å; R81-E102 IonicContact CZ-OE2 3.47Å; R81-E102 IonicContact NE-OE2 3.93Å; R81-E102 IonicContact NH2-OE1 3.93Å; R81-E102 IonicContact NH2-OE2 2.76Å; R81-E102 PolarHBondContact NH2-OE2 2.81Å; R81-P104 WeakPolarHBondContact CA-O 3.39Å; R81-P104 HydrophobicContact CG-CG 3.76Å |
| 82 | R | 91.8 | Very high | 93.3 | Very high | 139 Ų | 139 | 49 Ų | 49 | 53% | 0.525 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 56.5 | 37.7 | 173.8 | -56.2 | -174.3 | 173.6 | 98.5 | -0.5 | 114.1 | E58 G59 D60 R105 | E58-R82 IonicContact OE1-CZ 3.85Å; E58-R82 IonicContact OE1-NH1 3.56Å; E58-R82 PolarHBondContact OE1-NH1 3.2Å; G59-R82 CarbonylContact C-O 3.57Å; D60-R82 WeakPolarHBondContact CA-O 3.49Å; D60-R82 PolarHBondContact N-O 2.87Å; R82-R105 VanDerWaalsContact CA-O 3.22Å; R82-R105 WeakPolarHBondContact CA-O 3.08Å; R82-R105 HydrophobicContact CG-CB 4.48Å; R82-R105 PolarHBondContact N-O 2.89Å |
| 83 | T | 94 | Very high | 93.5 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | trans | -102.9 | 176.8 | 173.3 | 83.5 | 0 | 0 | 0 | 0 | 112.2 | L57 G59 W62 V80 R81 I85 N106 | L57-T83 HydrophobicContact CD2-CG2 4.38Å; L57-T83 HydrophobicContact CG-CG2 4.4Å; G59-T83 VanDerWaalsContact O-CA 3.3Å; G59-T83 WeakPolarHBondContact O-CA 3.4Å; G59-T83 WeakPolarHBondContact O-CG2 3.5Å; W62-T83 HydrophobicContact CB-CG2 3.96Å; W62-T83 HydrophobicContact CG-CG2 4.34Å; V80-T83 HydrophobicContact CG1-CG2 3.73Å; R81-T83 VanDerWaalsContact C-N 3.29Å; R81-T83 PolarHBondContact O-N 3.49Å; T83-I85 HydrophobicContact CG2-CD1 4.42Å; T83-I85 WeakPolarHBondContact OG1-CB 3.37Å; T83-I85 WeakPolarHBondContact OG1-CD1 3.2Å; T83-I85 VanDerWaalsContact OG1-CG1 3.27Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.19Å; T83-I85 PolarHBondContact OG1-N 3.15Å; T83-N106 VanDerWaalsContact CA-OD1 3.27Å; T83-N106 WeakPolarHBondContact CA-OD1 3.21Å; T83-N106 WeakPolarHBondContact CB-OD1 3.22Å; T83-N106 PolarHBondContact N-OD1 3.31Å; T83-N106 PolarHBondContact O-OD1 3.01Å; T83-N106 PolarHBondContact OG1-OD1 3.44Å | ||
| 84 | R | 93.6 | Very high | 93.7 | Very high | 122 Ų | 122 | 52.3 Ų | 52.3 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | trans | -104.7 | 18.7 | 173.7 | -66.6 | -177.6 | -169.3 | 168.1 | 6.7 | 112.5 | D60 W62 L63 R86 L107 | D60-R84 HydrophobicContact CB-CG 4.44Å; D60-R84 WeakPolarHBondContact O-CD 3.27Å; D60-R84 WeakPolarHBondContact O-CG 3.46Å; D60-R84 PolarHBondContact O-NE 3.22Å; D60-R84 VanDerWaalsContact O-NE 3.17Å; D60-R84 IonicContact OD2-CZ 2.84Å; D60-R84 IonicContact OD2-NE 3.19Å; D60-R84 IonicContact OD2-NH2 3.89Å; D60-R84 PolarHBondContact OD2-NH2 3.24Å; W62-R84 CarbonylContact O-C 3.51Å; W62-R84 WeakPolarHBondContact O-CA 3.33Å; W62-R84 WeakPolarHBondContact O-CB 3.45Å; W62-R84 PolarHBondContact O-N 3.21Å; L63-R84 HydrophobicContact CD2-CB 3.93Å; R84-R86 PolarHBondContact O-N 3.33Å; R84-L107 HydrophobicContact CB-CD1 3.99Å; R84-L107 HydrophobicContact CG-CD1 4.3Å | ||
| 85 | I | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -64.2 | 132.4 | 178.1 | -66.4 | 169.8 | 0 | 0 | 0 | 110.6 | L57 W62 L63 F65 V80 T83 Q87 L107 I108 | L57-I85 HydrophobicContact CD2-CD1 3.71Å; W62-I85 HydrophobicContact CB-CD1 4.39Å; W62-I85 HydrophobicContact CB-CG1 4.44Å; W62-I85 PolarHBondContact O-N 3.09Å; L63-I85 WeakPolarHBondContact O-CA 3.39Å; F65-I85 HydrophobicContact CD2-CD1 3.99Å; F65-I85 HydrophobicContact CD2-CG2 3.87Å; F65-I85 HydrophobicContact CE2-CD1 3.99Å; F65-I85 HydrophobicContact CE2-CG2 3.59Å; F65-I85 HydrophobicContact CG-CD1 4.31Å; F65-I85 HydrophobicContact CZ-CD1 4.27Å; V80-I85 HydrophobicContact CG1-CD1 4.03Å; T83-I85 HydrophobicContact CG2-CD1 4.42Å; T83-I85 WeakPolarHBondContact OG1-CB 3.37Å; T83-I85 WeakPolarHBondContact OG1-CD1 3.2Å; T83-I85 VanDerWaalsContact OG1-CG1 3.27Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.19Å; T83-I85 PolarHBondContact OG1-N 3.15Å; I85-Q87 VanDerWaalsContact CG2-O 3.23Å; I85-Q87 WeakPolarHBondContact CG2-O 3.43Å; I85-L107 CarbonylContact O-C 3.24Å; I85-L107 VanDerWaalsContact O-C 3.25Å; I85-L107 VanDerWaalsContact O-CA 3.3Å; I85-L107 WeakPolarHBondContact O-CA 3.31Å; I85-L107 WeakPolarHBondContact O-CB 3.39Å; I85-L107 PolarHBondContact O-N 2.83Å; I85-I108 PolarHBondContact O-N 3.36Å | ||
| 86 | R | 94.3 | Very high | 94 | Very high | 160 Ų | 160 | 53.5 Ų | 53.5 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | trans | -105.2 | -20.6 | -176 | -61.6 | -175.9 | -176.1 | -171.9 | 1.8 | 114.7 | R84 L107 I108 A109 | R84-R86 PolarHBondContact O-N 3.33Å; R86-L107 WeakPolarHBondContact CA-O 3.41Å; R86-L107 HydrophobicContact CG-CB 3.98Å; R86-I108 WeakPolarHBondContact O-CA 3.36Å; R86-A109 PolarHBondContact O-N 3.23Å | ||
| 87 | Q | 94.9 | Very high | 93.9 | Very high | 132 Ų | 132 | 55.5 Ų | 55.5 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -145.1 | 148.2 | -174.8 | -66.5 | -173.9 | -19.6 | 0 | 0 | 110.3 | I85 | I85-Q87 VanDerWaalsContact CG2-O 3.23Å; I85-Q87 WeakPolarHBondContact CG2-O 3.43Å |
| 88 | L | 94.3 | Very high | 94 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | trans | -75 | 150.8 | 169.6 | -68.2 | 171.2 | 0 | 0 | 0 | 110.3 | F65 L92 I103 I108 L111 P112 | F65-L88 HydrophobicContact CE2-CD2 4.13Å; F65-L88 HydrophobicContact CZ-CD2 4.17Å; L88-L92 HydrophobicContact CB-CD2 4.16Å; L88-L92 HydrophobicContact CD1-CD2 3.82Å; L88-L92 HydrophobicContact CD2-CD2 4.48Å; L88-L92 HydrophobicContact CG-CD2 4.37Å; L88-I103 HydrophobicContact CD2-CD1 3.25Å; L88-I108 HydrophobicContact CD2-CD1 3.89Å; L88-I108 HydrophobicContact CG-CD1 4.14Å; L88-L111 HydrophobicContact CD1-CD2 3.46Å; L88-L111 VanDerWaalsContact CD1-CD2 3.46Å; L88-P112 HydrophobicContact CB-CG 4.06Å; L88-P112 HydrophobicContact CD1-CG 4.23Å | ||
| 89 | P | 93.5 | Very high | 94 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | trans | -67.9 | 146.2 | 179.5 | 27 | -30.8 | 0 | 0 | 0 | 111.3 | F65 W78 F91 L92 | F65-P89 HydrophobicContact CB-CB 4.49Å; F65-P89 HydrophobicContact CB-CG 4.4Å; F65-P89 HydrophobicContact CD2-CG 4.26Å; F65-P89 HydrophobicContact CG-CG 4.22Å; W78-P89 HydrophobicContact CH2-CG 3.99Å; W78-P89 HydrophobicContact CZ3-CG 4.05Å; P89-F91 HydrophobicContact CB-CD1 3.79Å; P89-F91 HydrophobicContact CB-CD2 4.07Å; P89-F91 HydrophobicContact CB-CE1 3.41Å; P89-F91 VanDerWaalsContact CB-CE1 3.41Å; P89-F91 HydrophobicContact CB-CE2 3.7Å; P89-F91 HydrophobicContact CB-CG 4.09Å; P89-F91 HydrophobicContact CB-CZ 3.35Å; P89-F91 HydrophobicContact CG-CD2 4.3Å; P89-F91 HydrophobicContact CG-CE1 4.41Å; P89-F91 HydrophobicContact CG-CE2 3.82Å; P89-F91 HydrophobicContact CG-CZ 3.89Å; P89-F91 PolarHBondContact O-N 3.49Å; P89-L92 HydrophobicContact CG-CB 4.3Å; P89-L92 VanDerWaalsContact O-CB 3.22Å; P89-L92 WeakPolarHBondContact O-CB 3.39Å; P89-L92 PolarHBondContact O-N 3.21Å | ||
| 90 | D | 91.4 | Very high | 94.1 | Very high | 131 Ų | 131 | 56 Ų | 56 | 70% | 0.701 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -61.7 | -28 | 176.1 | 59.9 | -15.8 | 0 | 0 | 0 | 113 | L92 | D90-L92 VanDerWaalsContact C-N 3.29Å; D90-L92 PolarHBondContact O-N 2.84Å |
| 91 | F | 93.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.057 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -82 | 3.9 | 175.3 | 59.7 | -99.3 | 0 | 0 | 0 | 114.3 | L69 Q70 P89 A93 Q94 F95 | L69-F91 HydrophobicContact CB-CE2 3.94Å; L69-F91 HydrophobicContact CB-CZ 4.11Å; L69-F91 HydrophobicContact CD2-CE2 4.37Å; L69-F91 HydrophobicContact CG-CE2 4.31Å; Q70-F91 HydrophobicContact CB-CB 4.21Å; Q70-F91 HydrophobicContact CB-CD1 4.05Å; Q70-F91 HydrophobicContact CB-CD2 3.71Å; Q70-F91 HydrophobicContact CB-CE1 4.36Å; Q70-F91 HydrophobicContact CB-CE2 4.08Å; Q70-F91 HydrophobicContact CB-CG 3.73Å; Q70-F91 HydrophobicContact CB-CZ 4.39Å; P89-F91 HydrophobicContact CB-CD1 3.79Å; P89-F91 HydrophobicContact CB-CD2 4.07Å; P89-F91 HydrophobicContact CB-CE1 3.41Å; P89-F91 VanDerWaalsContact CB-CE1 3.41Å; P89-F91 HydrophobicContact CB-CE2 3.7Å; P89-F91 HydrophobicContact CB-CG 4.09Å; P89-F91 HydrophobicContact CB-CZ 3.35Å; P89-F91 HydrophobicContact CG-CD2 4.3Å; P89-F91 HydrophobicContact CG-CE1 4.41Å; P89-F91 HydrophobicContact CG-CE2 3.82Å; P89-F91 HydrophobicContact CG-CZ 3.89Å; P89-F91 PolarHBondContact O-N 3.49Å; F91-A93 PolarHBondContact O-N 2.7Å; F91-A93 VanDerWaalsContact O-N 3.13Å; F91-Q94 HydrophobicContact CB-CG 4.38Å; F91-Q94 VanDerWaalsContact CB-NE2 3.3Å; F91-Q94 VanDerWaalsContact O-CB 3.3Å; F91-Q94 WeakPolarHBondContact O-CB 3.44Å; F91-Q94 WeakPolarHBondContact O-CG 3.29Å; F91-Q94 PolarHBondContact O-N 2.88Å; F91-F95 AromaticContact CD2-CE2 3.65Å; F91-F95 HydrophobicContact CD2-CE2 3.65Å; F91-F95 HydrophobicContact CD2-CZ 4.12Å; F91-F95 AromaticContact CE2-CE2 3.95Å; F91-F95 HydrophobicContact CE2-CE2 3.95Å; F91-F95 HydrophobicContact CE2-CZ 4.15Å |
| 92 | L | 94.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -53.9 | -35 | 176.9 | -179 | 64.3 | 0 | 0 | 0 | 112.4 | W78 L88 P89 D90 Q94 F95 L98 L101 P112 I115 L118 | W78-L92 HydrophobicContact CE3-CD1 4.3Å; W78-L92 HydrophobicContact CH2-CD1 3.97Å; W78-L92 HydrophobicContact CZ3-CD1 3.76Å; L88-L92 HydrophobicContact CB-CD2 4.16Å; L88-L92 HydrophobicContact CD1-CD2 3.82Å; L88-L92 HydrophobicContact CD2-CD2 4.48Å; L88-L92 HydrophobicContact CG-CD2 4.37Å; P89-L92 HydrophobicContact CG-CB 4.3Å; P89-L92 VanDerWaalsContact O-CB 3.22Å; P89-L92 WeakPolarHBondContact O-CB 3.39Å; P89-L92 PolarHBondContact O-N 3.21Å; D90-L92 VanDerWaalsContact C-N 3.29Å; D90-L92 PolarHBondContact O-N 2.84Å; L92-Q94 PolarHBondContact O-N 2.73Å; L92-F95 HydrophobicContact CD1-CD2 4.41Å; L92-F95 WeakPolarHBondContact O-CD2 3.5Å; L92-F95 PolarHBondContact O-N 2.72Å; L92-L98 HydrophobicContact CD1-CD2 4.34Å; L92-L101 HydrophobicContact CD1-CD2 4.47Å; L92-L101 HydrophobicContact CD2-CD2 4.26Å; L92-P112 HydrophobicContact CD2-CG 4.48Å; L92-I115 HydrophobicContact CD2-CD1 3.74Å; L92-L118 HydrophobicContact CD1-CD1 4.4Å; L92-L118 HydrophobicContact CD2-CD1 4.35Å; L92-L118 HydrophobicContact CG-CD1 4.21Å; L92-L118 WeakPolarHBondContact O-CD2 3.29Å |
| 93 | A | 92.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -57.2 | -19.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F91 F95 Q114 K117 | F91-A93 PolarHBondContact O-N 2.7Å; F91-A93 VanDerWaalsContact O-N 3.13Å; A93-F95 VanDerWaalsContact C-N 3.35Å; A93-Q114 HydrophobicContact CB-CB 4.04Å; A93-Q114 HydrophobicContact CB-CG 4.41Å; A93-K117 HydrophobicContact CB-CB 4.46Å; A93-K117 HydrophobicContact CB-CD 3.85Å |
| 94 | Q | 94.1 | Very high | 94.7 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 48% | 0.481 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -81.5 | -15.7 | -176 | -56.9 | -178.6 | 35.3 | 0 | 0 | 112.4 | T73 F91 L92 T96 | T73-Q94 HydrophobicContact CG2-CB 3.85Å; F91-Q94 HydrophobicContact CB-CG 4.38Å; F91-Q94 VanDerWaalsContact CB-NE2 3.3Å; F91-Q94 VanDerWaalsContact O-CB 3.3Å; F91-Q94 WeakPolarHBondContact O-CB 3.44Å; F91-Q94 WeakPolarHBondContact O-CG 3.29Å; F91-Q94 PolarHBondContact O-N 2.88Å; L92-Q94 PolarHBondContact O-N 2.73Å; Q94-T96 PolarHBondContact O-N 2.85Å |
| 95 | F | 94.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -84.9 | 61.7 | 177.8 | -58.1 | -94.2 | 0 | 0 | 0 | 110.8 | L69 T72 W78 F91 L92 A93 Q97 L98 L118 | L69-F95 HydrophobicContact CG-CZ 4.08Å; L69-F95 VanDerWaalsContact O-CZ 3.22Å; L69-F95 WeakPolarHBondContact O-CZ 3.36Å; T72-F95 VanDerWaalsContact O-CE1 3.31Å; T72-F95 WeakPolarHBondContact O-CE1 3.11Å; W78-F95 HydrophobicContact CH2-CD2 4.04Å; W78-F95 AromaticContact CH2-CE2 3.6Å; W78-F95 HydrophobicContact CH2-CE2 3.6Å; W78-F95 AromaticContact CH2-CZ 3.95Å; W78-F95 HydrophobicContact CH2-CZ 3.95Å; W78-F95 AromaticContact CZ2-CD1 3.85Å; W78-F95 HydrophobicContact CZ2-CD1 3.85Å; W78-F95 AromaticContact CZ2-CD2 3.72Å; W78-F95 HydrophobicContact CZ2-CD2 3.72Å; W78-F95 AromaticContact CZ2-CE1 3.52Å; W78-F95 HydrophobicContact CZ2-CE1 3.52Å; W78-F95 AromaticContact CZ2-CE2 3.35Å; W78-F95 HydrophobicContact CZ2-CE2 3.35Å; W78-F95 AromaticContact CZ2-CG 3.99Å; W78-F95 HydrophobicContact CZ2-CG 3.99Å; W78-F95 AromaticContact CZ2-CZ 3.32Å; W78-F95 HydrophobicContact CZ2-CZ 3.32Å; F91-F95 AromaticContact CD2-CE2 3.65Å; F91-F95 HydrophobicContact CD2-CE2 3.65Å; F91-F95 HydrophobicContact CD2-CZ 4.12Å; F91-F95 AromaticContact CE2-CE2 3.95Å; F91-F95 HydrophobicContact CE2-CE2 3.95Å; F91-F95 HydrophobicContact CE2-CZ 4.15Å; L92-F95 HydrophobicContact CD1-CD2 4.41Å; L92-F95 WeakPolarHBondContact O-CD2 3.5Å; L92-F95 PolarHBondContact O-N 2.72Å; A93-F95 VanDerWaalsContact C-N 3.35Å; F95-Q97 PolarHBondContact O-N 3.1Å; F95-L98 HydrophobicContact CB-CB 3.91Å; F95-L98 WeakPolarHBondContact O-CB 3.09Å; F95-L98 PolarHBondContact O-N 3.17Å; F95-L118 WeakPolarHBondContact O-CD2 3.2Å | ||
| 96 | T | 92.3 | Very high | 94.9 | Very high | 74 Ų | 74 | 46 Ų | 46 | 45% | 0.454 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.9 | -179.1 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | Q94 A120 | Q94-T96 PolarHBondContact O-N 2.85Å; T96-A120 WeakPolarHBondContact O-CB 3.44Å |
| 97 | Q | 93.1 | Very high | 95 | Very high | 111 Ų | 111 | 40.2 Ų | 40.2 | 52% | 0.519 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 3 | 175.4 | -55.1 | -67.1 | 29.2 | 0 | 0 | 113.3 | F95 T99 | F95-Q97 PolarHBondContact O-N 3.1Å; Q97-T99 PolarHBondContact O-N 2.76Å |
| 98 | L | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -69.1 | 120 | -179.1 | -161.7 | 76.4 | 0 | 0 | 0 | 110.2 | Q76 W78 L92 F95 L101 L118 A120 L121 | Q76-L98 CarbonylContact O-C 3.44Å; Q76-L98 WeakPolarHBondContact O-CA 3.46Å; Q76-L98 VanDerWaalsContact O-CD1 3.29Å; Q76-L98 WeakPolarHBondContact O-CD1 3.37Å; W78-L98 HydrophobicContact CB-CD1 4.42Å; W78-L98 VanDerWaalsContact CD1-CD1 3.4Å; W78-L98 HydrophobicContact CD2-CD1 4.38Å; W78-L98 HydrophobicContact CG-CD1 3.84Å; L92-L98 HydrophobicContact CD1-CD2 4.34Å; F95-L98 HydrophobicContact CB-CB 3.91Å; F95-L98 WeakPolarHBondContact O-CB 3.09Å; F95-L98 PolarHBondContact O-N 3.17Å; L98-L101 HydrophobicContact CD2-CB 3.95Å; L98-L101 HydrophobicContact CD2-CD1 4.1Å; L98-L101 HydrophobicContact CD2-CD2 4.37Å; L98-L101 HydrophobicContact CD2-CG 4.37Å; L98-L118 HydrophobicContact CB-CD2 4.5Å; L98-L118 HydrophobicContact CD2-CD1 4.06Å; L98-A120 CarbonylContact O-C 3.57Å; L98-A120 VanDerWaalsContact O-C 3.23Å; L98-L121 HydrophobicContact CD2-CD1 4.29Å; L98-L121 HydrophobicContact CG-CD1 4.39Å; L98-L121 WeakPolarHBondContact O-CA 3.18Å; L98-L121 PolarHBondContact O-N 3.11Å | ||
| 99 | T | 96.8 | Very high | 95.1 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | trans | -102.8 | -30.3 | 179.1 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | Q76 Q97 A120 H122 R123 | Q76-T99 PolarHBondContact O-N 3.38Å; Q76-T99 PolarHBondContact O-OG1 2.72Å; Q97-T99 PolarHBondContact O-N 2.76Å; T99-A120 WeakPolarHBondContact CA-O 3.3Å; T99-H122 PolarHBondContact O-N 2.9Å; T99-R123 PolarHBondContact O-N 2.9Å; T99-R123 VanDerWaalsContact O-N 3.13Å | ||
| 100 | V | 97.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 37 Ų | 37 | 11% | 0.109 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123.7 | -177.6 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | Q76 E77 W78 E102 R123 | Q76-V100 PolarHBondContact O-N 2.92Å; Q76-V100 VanDerWaalsContact O-N 3.1Å; E77-V100 CarbonylContact C-O 3.46Å; E77-V100 WeakPolarHBondContact CA-O 3.24Å; E77-V100 HydrophobicContact CB-CB 4.01Å; E77-V100 HydrophobicContact CG-CB 3.89Å; E77-V100 HydrophobicContact CG-CG2 4.02Å; W78-V100 PolarHBondContact N-O 3.22Å; V100-E102 HydrophobicContact CG1-CG 3.76Å; V100-R123 HydrophobicContact CG1-CB 4.4Å; V100-R123 HydrophobicContact CG2-CB 4.41Å |
| 101 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 98.8 | 172.6 | -175.7 | 58.2 | 0 | 0 | 0 | 109.6 | W78 L92 L98 I103 I115 L118 L121 R123 L124 N125 | W78-L101 HydrophobicContact CB-CD1 3.73Å; W78-L101 HydrophobicContact CD2-CD1 4.22Å; W78-L101 HydrophobicContact CE3-CD1 3.76Å; W78-L101 HydrophobicContact CG-CD1 4.27Å; L92-L101 HydrophobicContact CD1-CD2 4.47Å; L92-L101 HydrophobicContact CD2-CD2 4.26Å; L98-L101 HydrophobicContact CD2-CB 3.95Å; L98-L101 HydrophobicContact CD2-CD1 4.1Å; L98-L101 HydrophobicContact CD2-CD2 4.37Å; L98-L101 HydrophobicContact CD2-CG 4.37Å; L101-I103 HydrophobicContact CD1-CD1 3.36Å; L101-I103 HydrophobicContact CD1-CG1 3.79Å; L101-I103 HydrophobicContact CD2-CD1 4.43Å; L101-I103 HydrophobicContact CG-CD1 3.93Å; L101-I103 HydrophobicContact CG-CG1 4.25Å; L101-I115 HydrophobicContact CD2-CD1 3.83Å; L101-L118 HydrophobicContact CD2-CD1 4.38Å; L101-L121 HydrophobicContact CB-CD1 3.83Å; L101-R123 PolarHBondContact N-O 2.92Å; L101-L124 HydrophobicContact CB-CD1 3.94Å; L101-L124 HydrophobicContact CD2-CD1 3.79Å; L101-L124 HydrophobicContact CG-CD1 3.92Å; L101-L124 WeakPolarHBondContact O-CA 3.37Å; L101-N125 PolarHBondContact O-N 3.38Å |
| 102 | E | 97.7 | Very high | 95.4 | Very high | 23 Ų | 23 | 31.8 Ų | 31.8 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 108 | 177.6 | -66.5 | -173 | 166.7 | 0 | 0 | 110.4 | W78 H79 V80 R81 V100 R123 N125 | W78-E102 PolarHBondContact O-N 3.42Å; H79-E102 CarbonylContact C-O 3.25Å; H79-E102 WeakPolarHBondContact CA-O 3.26Å; H79-E102 IonicContact CE1-OE2 3.87Å; H79-E102 PolarHBondContact CE1-OE2 2.76Å; H79-E102 IonicContact CG-OE2 3.98Å; H79-E102 IonicContact ND1-OE2 3.55Å; H79-E102 PolarHBondContact ND1-OE2 3.47Å; V80-E102 PolarHBondContact N-O 2.69Å; R81-E102 IonicContact CZ-OE2 3.47Å; R81-E102 IonicContact NE-OE2 3.93Å; R81-E102 IonicContact NH2-OE1 3.93Å; R81-E102 IonicContact NH2-OE2 2.76Å; R81-E102 PolarHBondContact NH2-OE2 2.81Å; V100-E102 HydrophobicContact CG1-CG 3.76Å; E102-R123 WeakPolarHBondContact OE1-CD 3.24Å; E102-N125 HydrophobicContact CG-CB 4.21Å |
| 103 | I | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -125.6 | 48.2 | 177.6 | -46.7 | 173.4 | 0 | 0 | 0 | 112.2 | F65 V80 L88 L101 N106 I108 N125 I126 N129 | F65-I103 HydrophobicContact CZ-CD1 3.96Å; V80-I103 HydrophobicContact CB-CB 4.43Å; V80-I103 HydrophobicContact CB-CG1 4.11Å; V80-I103 HydrophobicContact CB-CG2 3.93Å; V80-I103 HydrophobicContact CG1-CG2 4.09Å; V80-I103 CarbonylContact O-C 3Å; V80-I103 WeakPolarHBondContact O-CA 3.27Å; L88-I103 HydrophobicContact CD2-CD1 3.25Å; L101-I103 HydrophobicContact CD1-CD1 3.36Å; L101-I103 HydrophobicContact CD1-CG1 3.79Å; L101-I103 HydrophobicContact CD2-CD1 4.43Å; L101-I103 HydrophobicContact CG-CD1 3.93Å; L101-I103 HydrophobicContact CG-CG1 4.25Å; I103-N106 HydrophobicContact CG2-CB 4.21Å; I103-N106 WeakPolarHBondContact CG2-ND2 3.33Å; I103-N106 PolarHBondContact O-ND2 3.28Å; I103-I108 HydrophobicContact CB-CD1 4.05Å; I103-I108 HydrophobicContact CD1-CD1 4.29Å; I103-I108 HydrophobicContact CG2-CD1 3.47Å; I103-I108 VanDerWaalsContact CG2-CD1 3.47Å; I103-I108 HydrophobicContact CG2-CG1 4.45Å; I103-N125 PolarHBondContact N-O 2.82Å; I103-I126 HydrophobicContact CB-CD1 3.96Å; I103-I126 HydrophobicContact CD1-CD1 4.45Å; I103-I126 HydrophobicContact CG1-CD1 4.39Å; I103-N129 PolarHBondContact O-ND2 2.85Å | ||
| 104 | P | 96.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | trans | -76.1 | 152.6 | -178.5 | 32.3 | -37.1 | 0 | 0 | 0 | 113.1 | R81 N106 S127 | R81-P104 WeakPolarHBondContact CA-O 3.39Å; R81-P104 HydrophobicContact CG-CG 3.76Å; P104-N106 PolarHBondContact O-ND2 2.87Å; P104-S127 CarbonylContact C-O 3.54Å; P104-S127 WeakPolarHBondContact CA-O 3.4Å | ||
| 105 | R | 95.8 | Very high | 95.6 | Very high | 110 Ų | 110 | 32.8 Ų | 32.8 | 42% | 0.415 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 59.8 | 51.9 | 177.7 | -59.6 | -177.7 | 174.7 | 92 | 0.9 | 112.8 | R82 S127 Y128 | R82-R105 VanDerWaalsContact CA-O 3.22Å; R82-R105 WeakPolarHBondContact CA-O 3.08Å; R82-R105 HydrophobicContact CG-CB 4.48Å; R82-R105 PolarHBondContact N-O 2.89Å; R105-S127 PolarHBondContact N-O 3.3Å; R105-Y128 VanDerWaalsContact CA-O 3.26Å; R105-Y128 WeakPolarHBondContact CA-O 3.47Å; R105-Y128 HydrophobicContact CG-CD2 4.23Å; R105-Y128 HydrophobicContact CG-CG 4.26Å; R105-Y128 PolarHBondContact N-O 2.96Å |
| 106 | N | 95.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -124.3 | -162.7 | 172.2 | -58.7 | -79.6 | 0 | 0 | 0 | 109.7 | V80 T83 I103 P104 I108 N129 | V80-N106 PolarHBondContact O-ND2 2.9Å; T83-N106 VanDerWaalsContact CA-OD1 3.27Å; T83-N106 WeakPolarHBondContact CA-OD1 3.21Å; T83-N106 WeakPolarHBondContact CB-OD1 3.22Å; T83-N106 PolarHBondContact N-OD1 3.31Å; T83-N106 PolarHBondContact O-OD1 3.01Å; T83-N106 PolarHBondContact OG1-OD1 3.44Å; I103-N106 HydrophobicContact CG2-CB 4.21Å; I103-N106 WeakPolarHBondContact CG2-ND2 3.33Å; I103-N106 PolarHBondContact O-ND2 3.28Å; P104-N106 PolarHBondContact O-ND2 2.87Å; N106-I108 HydrophobicContact CB-CG1 4.42Å; N106-N129 WeakPolarHBondContact CA-OD1 3.22Å; N106-N129 VanDerWaalsContact CB-OD1 3.24Å; N106-N129 WeakPolarHBondContact CB-OD1 3.19Å; N106-N129 PolarHBondContact N-OD1 3.37Å; N106-N129 PolarHBondContact O-OD1 2.99Å |
| 107 | L | 96.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | trans | -114.9 | 24.7 | -178.8 | -54.9 | -179.3 | 0 | 0 | 0 | 112 | R84 I85 R86 A109 N129 | R84-L107 HydrophobicContact CB-CD1 3.99Å; R84-L107 HydrophobicContact CG-CD1 4.3Å; I85-L107 CarbonylContact O-C 3.24Å; I85-L107 VanDerWaalsContact O-C 3.25Å; I85-L107 VanDerWaalsContact O-CA 3.3Å; I85-L107 WeakPolarHBondContact O-CA 3.31Å; I85-L107 WeakPolarHBondContact O-CB 3.39Å; I85-L107 PolarHBondContact O-N 2.83Å; R86-L107 WeakPolarHBondContact CA-O 3.41Å; R86-L107 HydrophobicContact CG-CB 3.98Å; L107-A109 PolarHBondContact O-N 3.01Å; L107-N129 PolarHBondContact N-OD1 2.96Å | ||
| 108 | I | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -62.6 | 120.9 | -176.6 | -61.8 | -176.6 | 0 | 0 | 0 | 109.7 | I85 R86 L88 I103 N106 D110 L111 N129 R130 L131 | I85-I108 PolarHBondContact O-N 3.36Å; R86-I108 WeakPolarHBondContact O-CA 3.36Å; L88-I108 HydrophobicContact CD2-CD1 3.89Å; L88-I108 HydrophobicContact CG-CD1 4.14Å; I103-I108 HydrophobicContact CB-CD1 4.05Å; I103-I108 HydrophobicContact CD1-CD1 4.29Å; I103-I108 HydrophobicContact CG2-CD1 3.47Å; I103-I108 VanDerWaalsContact CG2-CD1 3.47Å; I103-I108 HydrophobicContact CG2-CG1 4.45Å; N106-I108 HydrophobicContact CB-CG1 4.42Å; I108-D110 WeakPolarHBondContact CG2-O 3.42Å; I108-L111 HydrophobicContact CG2-CD2 4.37Å; I108-N129 HydrophobicContact CB-CB 4.24Å; I108-N129 WeakPolarHBondContact CB-OD1 3.33Å; I108-N129 PolarHBondContact N-OD1 3.06Å; I108-R130 CarbonylContact O-C 3.6Å; I108-R130 VanDerWaalsContact O-C 3.24Å; I108-R130 WeakPolarHBondContact O-CA 3.48Å; I108-R130 PolarHBondContact O-N 3.04Å; I108-L131 HydrophobicContact CG2-CD2 4Å; I108-L131 PolarHBondContact O-N 2.72Å | ||
| 109 | A | 94.7 | Very high | 95.6 | Very high | 36 Ų | 36 | 34.4 Ų | 34.4 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | trans | -97.5 | -30.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R86 L107 L131 | R86-A109 PolarHBondContact O-N 3.23Å; L107-A109 PolarHBondContact O-N 3.01Å; A109-L131 WeakPolarHBondContact O-CA 3.32Å | ||
| 110 | D | 94.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 34 Ų | 34 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | trans | -142.4 | 147.9 | 179.4 | -67.4 | -79.8 | 0 | 0 | 0 | 109.8 | I108 R133 | I108-D110 WeakPolarHBondContact CG2-O 3.42Å; D110-R133 IonicContact OD1-CZ 3.58Å; D110-R133 IonicContact OD1-NE 2.93Å; D110-R133 PolarHBondContact OD1-NE 2.92Å; D110-R133 IonicContact OD1-NH2 3.3Å; D110-R133 PolarHBondContact OD1-NH2 3.2Å | ||
| 111 | L | 95.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | trans | -94.5 | 134.7 | 165.4 | -62.2 | 175.2 | 0 | 0 | 0 | 109.3 | L88 I108 I126 L131 P135 | L88-L111 HydrophobicContact CD1-CD2 3.46Å; L88-L111 VanDerWaalsContact CD1-CD2 3.46Å; I108-L111 HydrophobicContact CG2-CD2 4.37Å; L111-I126 HydrophobicContact CD2-CD1 4.18Å; L111-I126 HydrophobicContact CD2-CG1 4.08Å; L111-I126 HydrophobicContact CD2-CG2 4.37Å; L111-L131 HydrophobicContact CD1-CD1 4.32Å; L111-L131 HydrophobicContact CD2-CD2 4.41Å; L111-L131 HydrophobicContact CG-CD1 4.36Å; L111-L131 HydrophobicContact CG-CD2 3.93Å; L111-P135 HydrophobicContact CB-CG 3.83Å | ||
| 112 | P | 94.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 17% | 0.169 | 20% | 0.196 | C | C | . | . | trans | -70 | 142.3 | 178 | 29.6 | -32.4 | 0 | 0 | 0 | 110.2 | L88 L92 Q114 I115 | L88-P112 HydrophobicContact CB-CG 4.06Å; L88-P112 HydrophobicContact CD1-CG 4.23Å; L92-P112 HydrophobicContact CD2-CG 4.48Å; P112-Q114 PolarHBondContact O-N 2.7Å; P112-I115 WeakPolarHBondContact O-CB 3.44Å; P112-I115 WeakPolarHBondContact O-CG2 3.3Å; P112-I115 PolarHBondContact O-N 2.83Å | ||
| 113 | P | 94.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 37.6 Ų | 37.6 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -49.9 | -29.3 | 173 | -31.7 | 38 | 0 | 0 | 0 | 113.9 | I115 G116 E137 | P113-I115 PolarHBondContact O-N 2.85Å; P113-G116 PolarHBondContact O-N 3.24Å; P113-E137 HydrophobicContact CB-CG 4.07Å; P113-E137 WeakPolarHBondContact O-CB 3.39Å |
| 114 | Q | 94.4 | Very high | 95.6 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -61.1 | -13 | 177.5 | -68 | 81 | -2.9 | 0 | 0 | 114 | A93 P112 G116 K117 | A93-Q114 HydrophobicContact CB-CB 4.04Å; A93-Q114 HydrophobicContact CB-CG 4.41Å; P112-Q114 PolarHBondContact O-N 2.7Å; Q114-G116 PolarHBondContact O-N 2.72Å; Q114-K117 WeakPolarHBondContact O-CB 3.23Å; Q114-K117 PolarHBondContact O-N 2.89Å |
| 115 | I | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -55.6 | -33.3 | 172.9 | -162.4 | 75.6 | 0 | 0 | 0 | 111.7 | L92 L101 P112 P113 K117 L118 P135 L138 C141 | L92-I115 HydrophobicContact CD2-CD1 3.74Å; L101-I115 HydrophobicContact CD2-CD1 3.83Å; P112-I115 WeakPolarHBondContact O-CB 3.44Å; P112-I115 WeakPolarHBondContact O-CG2 3.3Å; P112-I115 PolarHBondContact O-N 2.83Å; P113-I115 PolarHBondContact O-N 2.85Å; I115-K117 PolarHBondContact O-N 3.08Å; I115-L118 HydrophobicContact CD1-CD1 3.54Å; I115-L118 HydrophobicContact CG1-CD1 4.31Å; I115-L118 WeakPolarHBondContact O-CB 3.1Å; I115-L118 WeakPolarHBondContact O-CG 3.38Å; I115-L118 PolarHBondContact O-N 2.65Å; I115-P135 HydrophobicContact CG2-CG 3.78Å; I115-L138 HydrophobicContact CG1-CD1 4.04Å; I115-L138 HydrophobicContact CG2-CB 4.21Å; I115-L138 HydrophobicContact CG2-CD1 4.12Å; I115-C141 PolarHBondContact O-SG 3.32Å |
| 116 | G | 93.6 | Very high | 95.8 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -61.6 | -15 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P113 Q114 L118 E137 | P113-G116 PolarHBondContact O-N 3.24Å; Q114-G116 PolarHBondContact O-N 2.72Å; G116-L118 VanDerWaalsContact C-N 3.3Å; G116-E137 WeakPolarHBondContact CA-O 3.22Å |
| 117 | K | 95.4 | Very high | 95.9 | Very high | 132 Ų | 132 | 32.7 Ų | 32.7 | 57% | 0.574 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -80.8 | -9.4 | 176.6 | -64.2 | 179.3 | 173.7 | -177 | 0 | 113.4 | A93 Q114 I115 S119 | A93-K117 HydrophobicContact CB-CB 4.46Å; A93-K117 HydrophobicContact CB-CD 3.85Å; Q114-K117 WeakPolarHBondContact O-CB 3.23Å; Q114-K117 PolarHBondContact O-N 2.89Å; I115-K117 PolarHBondContact O-N 3.08Å; K117-S119 PolarHBondContact O-N 3.08Å |
| 118 | L | 95.7 | Very high | 96 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -81.5 | 66.6 | 179.1 | -56.5 | -178.2 | 0 | 0 | 0 | 110.4 | L92 F95 L98 L101 I115 G116 A120 L121 | L92-L118 HydrophobicContact CD1-CD1 4.4Å; L92-L118 HydrophobicContact CD2-CD1 4.35Å; L92-L118 HydrophobicContact CG-CD1 4.21Å; L92-L118 WeakPolarHBondContact O-CD2 3.29Å; F95-L118 WeakPolarHBondContact O-CD2 3.2Å; L98-L118 HydrophobicContact CB-CD2 4.5Å; L98-L118 HydrophobicContact CD2-CD1 4.06Å; L101-L118 HydrophobicContact CD2-CD1 4.38Å; I115-L118 HydrophobicContact CD1-CD1 3.54Å; I115-L118 HydrophobicContact CG1-CD1 4.31Å; I115-L118 WeakPolarHBondContact O-CB 3.1Å; I115-L118 WeakPolarHBondContact O-CG 3.38Å; I115-L118 PolarHBondContact O-N 2.65Å; G116-L118 VanDerWaalsContact C-N 3.3Å; L118-A120 PolarHBondContact O-N 2.95Å; L118-A120 VanDerWaalsContact O-N 3.15Å; L118-L121 HydrophobicContact CB-CB 3.96Å; L118-L121 HydrophobicContact CB-CD2 4.38Å; L118-L121 HydrophobicContact CD1-CD2 4.2Å; L118-L121 WeakPolarHBondContact O-CB 3.23Å; L118-L121 PolarHBondContact O-N 3.2Å | ||
| 119 | S | 92.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 35.5 Ų | 35.5 | 51% | 0.51 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.3 | -173.9 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | K117 Q143 | K117-S119 PolarHBondContact O-N 3.08Å; S119-Q143 WeakPolarHBondContact O-CG 3.43Å |
| 120 | A | 95.6 | Very high | 96.2 | Very high | 21 Ų | 21 | 41 Ų | 41 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 1.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T96 L98 T99 L118 H122 | T96-A120 WeakPolarHBondContact O-CB 3.44Å; L98-A120 CarbonylContact O-C 3.57Å; L98-A120 VanDerWaalsContact O-C 3.23Å; T99-A120 WeakPolarHBondContact CA-O 3.3Å; L118-A120 PolarHBondContact O-N 2.95Å; L118-A120 VanDerWaalsContact O-N 3.15Å; A120-H122 PolarHBondContact O-CE1 2.94Å; A120-H122 VanDerWaalsContact O-CE1 3.24Å; A120-H122 PolarHBondContact O-N 3.3Å; A120-H122 PolarHBondContact O-ND1 2.87Å |
| 121 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -73.6 | 121.8 | -173.7 | -166.8 | 70.5 | 0 | 0 | 0 | 111.2 | L98 L101 L118 L124 Q143 L144 | L98-L121 HydrophobicContact CD2-CD1 4.29Å; L98-L121 HydrophobicContact CG-CD1 4.39Å; L98-L121 WeakPolarHBondContact O-CA 3.18Å; L98-L121 PolarHBondContact O-N 3.11Å; L101-L121 HydrophobicContact CB-CD1 3.83Å; L118-L121 HydrophobicContact CB-CB 3.96Å; L118-L121 HydrophobicContact CB-CD2 4.38Å; L118-L121 HydrophobicContact CD1-CD2 4.2Å; L118-L121 WeakPolarHBondContact O-CB 3.23Å; L118-L121 PolarHBondContact O-N 3.2Å; L121-L124 HydrophobicContact CD2-CB 4.1Å; L121-L124 HydrophobicContact CD2-CD1 4.47Å; L121-Q143 CarbonylContact O-C 3.2Å; L121-L144 HydrophobicContact CB-CD1 4.48Å; L121-L144 HydrophobicContact CD2-CD1 4.01Å; L121-L144 HydrophobicContact CG-CD1 3.93Å; L121-L144 VanDerWaalsContact O-CA 3.24Å; L121-L144 WeakPolarHBondContact O-CA 3.44Å; L121-L144 PolarHBondContact O-N 3.46Å; L121-L144 VanDerWaalsContact O-N 3.13Å | ||
| 122 | H | 97.5 | Very high | 96.3 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 32% | 0.319 | 21% | 0.207 | S | C | . | . | trans | -104.8 | -31.8 | 178.6 | -66 | 72.7 | 0 | 0 | 0 | 112.2 | T99 A120 E145 R146 | T99-H122 PolarHBondContact O-N 2.9Å; A120-H122 PolarHBondContact O-CE1 2.94Å; A120-H122 VanDerWaalsContact O-CE1 3.24Å; A120-H122 PolarHBondContact O-N 3.3Å; A120-H122 PolarHBondContact O-ND1 2.87Å; H122-E145 IonicContact CD2-OE1 3.94Å; H122-E145 PolarHBondContact O-N 2.79Å; H122-R146 PolarHBondContact O-N 3.37Å; H122-R146 VanDerWaalsContact O-N 3.08Å | ||
| 123 | R | 98.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 19% | 0.185 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.2 | 179.9 | -177.7 | -176.5 | -64.4 | -97.5 | 11.5 | 111.1 | T99 V100 L101 E102 R146 E148 | T99-R123 PolarHBondContact O-N 2.9Å; T99-R123 VanDerWaalsContact O-N 3.13Å; V100-R123 HydrophobicContact CG1-CB 4.4Å; V100-R123 HydrophobicContact CG2-CB 4.41Å; L101-R123 PolarHBondContact N-O 2.92Å; E102-R123 WeakPolarHBondContact OE1-CD 3.24Å; R123-R146 HydrophobicContact CG-CB 4.3Å; R123-R146 VanDerWaalsContact CZ-CD 3.41Å; R123-E148 IonicContact NH1-OE1 2.86Å; R123-E148 PolarHBondContact NH1-OE1 3.13Å |
| 124 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.8 | 170.9 | -180 | 58.1 | 0 | 0 | 0 | 109.5 | L101 L121 I126 L138 L144 R146 L147 E148 | L101-L124 HydrophobicContact CB-CD1 3.94Å; L101-L124 HydrophobicContact CD2-CD1 3.79Å; L101-L124 HydrophobicContact CG-CD1 3.92Å; L101-L124 WeakPolarHBondContact O-CA 3.37Å; L121-L124 HydrophobicContact CD2-CB 4.1Å; L121-L124 HydrophobicContact CD2-CD1 4.47Å; L124-I126 HydrophobicContact CD1-CD1 3.74Å; L124-I126 HydrophobicContact CD1-CG1 3.65Å; L124-I126 HydrophobicContact CG-CG1 4.01Å; L124-L138 HydrophobicContact CD2-CD1 3.59Å; L124-L138 HydrophobicContact CD2-CD2 4.12Å; L124-L144 HydrophobicContact CB-CD1 3.87Å; L124-L144 HydrophobicContact CB-CD2 4.49Å; L124-R146 PolarHBondContact N-O 2.86Å; L124-L147 HydrophobicContact CB-CD1 4.1Å; L124-L147 HydrophobicContact CD2-CD1 3.85Å; L124-L147 HydrophobicContact CG-CD1 4.04Å; L124-L147 WeakPolarHBondContact O-CA 3.12Å; L124-E148 PolarHBondContact O-N 3.35Å |
| 125 | N | 98.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113 | 172 | -178.2 | -18.2 | 0 | 0 | 0 | 110.2 | L101 E102 I103 S127 E148 | L101-N125 PolarHBondContact O-N 3.38Å; E102-N125 HydrophobicContact CG-CB 4.21Å; I103-N125 PolarHBondContact N-O 2.82Å; N125-S127 WeakPolarHBondContact OD1-CB 3.47Å; N125-S127 PolarHBondContact OD1-N 3.29Å; N125-S127 PolarHBondContact OD1-OG 3.23Å; N125-E148 WeakPolarHBondContact CA-O 3.45Å; N125-E148 HydrophobicContact CB-CB 3.94Å; N125-E148 PolarHBondContact ND2-OE2 2.93Å |
| 126 | I | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -121.7 | 31.7 | 175.3 | -48.4 | -69.7 | 0 | 0 | 0 | 109.5 | I103 L111 L124 N129 L131 E148 L149 N152 | I103-I126 HydrophobicContact CB-CD1 3.96Å; I103-I126 HydrophobicContact CD1-CD1 4.45Å; I103-I126 HydrophobicContact CG1-CD1 4.39Å; L111-I126 HydrophobicContact CD2-CD1 4.18Å; L111-I126 HydrophobicContact CD2-CG1 4.08Å; L111-I126 HydrophobicContact CD2-CG2 4.37Å; L124-I126 HydrophobicContact CD1-CD1 3.74Å; L124-I126 HydrophobicContact CD1-CG1 3.65Å; L124-I126 HydrophobicContact CG-CG1 4.01Å; I126-N129 VanDerWaalsContact C-ND2 3.32Å; I126-N129 HydrophobicContact CG2-CB 4Å; I126-N129 WeakPolarHBondContact CG2-ND2 3.38Å; I126-N129 PolarHBondContact O-ND2 3.45Å; I126-L131 HydrophobicContact CB-CD1 4.01Å; I126-L131 HydrophobicContact CG2-CD1 3.51Å; I126-L131 HydrophobicContact CG2-CD2 4.45Å; I126-L131 HydrophobicContact CG2-CG 4Å; I126-E148 PolarHBondContact N-O 2.94Å; I126-L149 HydrophobicContact CB-CD2 4.22Å; I126-N152 PolarHBondContact O-ND2 3.26Å | ||
| 127 | S | 98.2 | Very high | 96.8 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | -68.2 | 150.2 | -177.4 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | P104 R105 N125 N129 E148 A150 | P104-S127 CarbonylContact C-O 3.54Å; P104-S127 WeakPolarHBondContact CA-O 3.4Å; R105-S127 PolarHBondContact N-O 3.3Å; N125-S127 WeakPolarHBondContact OD1-CB 3.47Å; N125-S127 PolarHBondContact OD1-N 3.29Å; N125-S127 PolarHBondContact OD1-OG 3.23Å; S127-N129 VanDerWaalsContact C-N 3.33Å; S127-N129 PolarHBondContact O-N 2.87Å; S127-N129 PolarHBondContact O-ND2 3.43Å; S127-E148 PolarHBondContact OG-O 3.5Å; S127-A150 CarbonylContact C-O 3.23Å; S127-A150 WeakPolarHBondContact CA-O 3.45Å; S127-A150 WeakPolarHBondContact CB-O 3.33Å; S127-A150 PolarHBondContact OG-N 3.22Å | ||
| 128 | Y | 97.8 | Very high | 96.9 | Very high | 87 Ų | 87 | 39.3 Ų | 39.3 | 34% | 0.341 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 54.9 | 46.5 | -178.9 | -54.5 | -75.3 | 0 | 0 | 0 | 112.7 | R105 A150 G151 E175 | R105-Y128 VanDerWaalsContact CA-O 3.26Å; R105-Y128 WeakPolarHBondContact CA-O 3.47Å; R105-Y128 HydrophobicContact CG-CD2 4.23Å; R105-Y128 HydrophobicContact CG-CG 4.26Å; R105-Y128 PolarHBondContact N-O 2.96Å; Y128-A150 PolarHBondContact N-O 3.07Å; Y128-G151 WeakPolarHBondContact CA-O 3.34Å; Y128-E175 PolarHBondContact OH-OE1 3.28Å |
| 129 | N | 97.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -111.6 | -160 | 171.4 | -82.2 | -80.6 | 0 | 0 | 0 | 110 | I103 N106 L107 I108 I126 S127 N152 | I103-N129 PolarHBondContact O-ND2 2.85Å; N106-N129 WeakPolarHBondContact CA-OD1 3.22Å; N106-N129 VanDerWaalsContact CB-OD1 3.24Å; N106-N129 WeakPolarHBondContact CB-OD1 3.19Å; N106-N129 PolarHBondContact N-OD1 3.37Å; N106-N129 PolarHBondContact O-OD1 2.99Å; L107-N129 PolarHBondContact N-OD1 2.96Å; I108-N129 HydrophobicContact CB-CB 4.24Å; I108-N129 WeakPolarHBondContact CB-OD1 3.33Å; I108-N129 PolarHBondContact N-OD1 3.06Å; I126-N129 VanDerWaalsContact C-ND2 3.32Å; I126-N129 HydrophobicContact CG2-CB 4Å; I126-N129 WeakPolarHBondContact CG2-ND2 3.38Å; I126-N129 PolarHBondContact O-ND2 3.45Å; S127-N129 VanDerWaalsContact C-N 3.33Å; S127-N129 PolarHBondContact O-N 2.87Å; S127-N129 PolarHBondContact O-ND2 3.43Å; N129-N152 WeakPolarHBondContact CA-OD1 3.27Å; N129-N152 WeakPolarHBondContact CB-OD1 3.44Å; N129-N152 PolarHBondContact N-OD1 2.91Å; N129-N152 PolarHBondContact O-OD1 3Å |
| 130 | R | 96.9 | Very high | 97.1 | Very high | 150 Ų | 150 | 41 Ų | 41 | 57% | 0.566 | 20% | 0.195 | S | C | * | . | trans | -117.6 | 27.4 | 180 | -61.6 | -175.1 | 176.5 | -172 | 0.7 | 111.7 | I108 S132 N152 | I108-R130 CarbonylContact O-C 3.6Å; I108-R130 VanDerWaalsContact O-C 3.24Å; I108-R130 WeakPolarHBondContact O-CA 3.48Å; I108-R130 PolarHBondContact O-N 3.04Å; R130-S132 PolarHBondContact O-N 2.81Å; R130-N152 PolarHBondContact N-OD1 3.26Å | ||
| 131 | L | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -59.7 | 130.1 | -179 | -66.9 | 177.5 | 0 | 0 | 0 | 110.2 | I108 A109 L111 I126 L149 N152 L155 | I108-L131 HydrophobicContact CG2-CD2 4Å; I108-L131 PolarHBondContact O-N 2.72Å; A109-L131 WeakPolarHBondContact O-CA 3.32Å; L111-L131 HydrophobicContact CD1-CD1 4.32Å; L111-L131 HydrophobicContact CD2-CD2 4.41Å; L111-L131 HydrophobicContact CG-CD1 4.36Å; L111-L131 HydrophobicContact CG-CD2 3.93Å; I126-L131 HydrophobicContact CB-CD1 4.01Å; I126-L131 HydrophobicContact CG2-CD1 3.51Å; I126-L131 HydrophobicContact CG2-CD2 4.45Å; I126-L131 HydrophobicContact CG2-CG 4Å; L131-L149 HydrophobicContact CD1-CD2 4Å; L131-N152 HydrophobicContact CB-CB 4.02Å; L131-N152 WeakPolarHBondContact CB-OD1 3.43Å; L131-N152 WeakPolarHBondContact CG-OD1 3.3Å; L131-N152 PolarHBondContact N-OD1 2.87Å; L131-L155 PolarHBondContact O-N 2.92Å | ||
| 132 | S | 95 | Very high | 96.8 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -100.9 | -20.5 | 168.7 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | R130 | R130-S132 PolarHBondContact O-N 2.81Š|
| 133 | R | 95.6 | Very high | 96.8 | Very high | 151 Ų | 151 | 46.9 Ų | 46.9 | 57% | 0.57 | 22% | 0.219 | S | C | * | . | trans | -153.6 | 161.1 | -178.2 | 60.6 | -179.2 | 165.9 | 178.3 | -4 | 110.9 | D110 | D110-R133 IonicContact OD1-CZ 3.58Å; D110-R133 IonicContact OD1-NE 2.93Å; D110-R133 PolarHBondContact OD1-NE 2.92Å; D110-R133 IonicContact OD1-NH2 3.3Å; D110-R133 PolarHBondContact OD1-NH2 3.2Å | ||
| 134 | V | 97.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | trans | -113.4 | 135.6 | 170.3 | 178.9 | 0 | 0 | 0 | 0 | 108 | L138 L149 L155 L158 P159 L162 | V134-L138 HydrophobicContact CG1-CB 4.01Å; V134-L138 HydrophobicContact CG1-CD2 3.42Å; V134-L138 VanDerWaalsContact CG1-CD2 3.42Å; V134-L138 HydrophobicContact CG1-CG 4.35Å; V134-L149 HydrophobicContact CG2-CD1 3.87Å; V134-L155 HydrophobicContact CG2-CD1 4.15Å; V134-L155 HydrophobicContact CG2-CD2 4.48Å; V134-L158 HydrophobicContact CB-CD2 4.31Å; V134-L158 HydrophobicContact CG2-CD2 3.81Å; V134-P159 HydrophobicContact CB-CG 4.42Å; V134-P159 WeakPolarHBondContact O-CG 3.36Å; V134-L162 HydrophobicContact CG1-CD1 4.28Å; V134-L162 HydrophobicContact CG1-CD2 4.18Å | ||
| 135 | P | 96.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | trans | -67.5 | 140.4 | 177.1 | 26.5 | -34.5 | 0 | 0 | 0 | 110.8 | L111 I115 E137 L138 | L111-P135 HydrophobicContact CB-CG 3.83Å; I115-P135 HydrophobicContact CG2-CG 3.78Å; P135-E137 WeakPolarHBondContact CB-OE2 3.45Å; P135-E137 PolarHBondContact O-N 2.87Å; P135-L138 WeakPolarHBondContact O-CB 3.35Å; P135-L138 PolarHBondContact O-N 3.43Å | ||
| 136 | P | 97.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -59 | -30.3 | 176.9 | 23.6 | -32.8 | 0 | 0 | 0 | 112.5 | L138 G139 P159 E161 | P136-L138 PolarHBondContact O-N 3.37Å; P136-L138 VanDerWaalsContact O-N 3.1Å; P136-G139 PolarHBondContact O-N 3Å; P136-P159 HydrophobicContact CB-CB 4.08Å; P136-P159 HydrophobicContact CB-CG 4.5Å; P136-E161 HydrophobicContact CB-CB 3.84Å; P136-E161 HydrophobicContact CB-CG 3.69Å; P136-E161 WeakPolarHBondContact O-CB 3.44Å |
| 137 | E | 97.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -61.9 | -16.3 | 177 | -61.6 | 83.1 | 174.4 | 0 | 0 | 113.2 | P113 G116 P135 G139 D140 | P113-E137 HydrophobicContact CB-CG 4.07Å; P113-E137 WeakPolarHBondContact O-CB 3.39Å; G116-E137 WeakPolarHBondContact CA-O 3.22Å; P135-E137 WeakPolarHBondContact CB-OE2 3.45Å; P135-E137 PolarHBondContact O-N 2.87Å; E137-G139 PolarHBondContact O-N 3.26Å; E137-D140 WeakPolarHBondContact O-CB 3.3Å; E137-D140 PolarHBondContact O-N 3.13Å |
| 138 | L | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -59 | -27.8 | 170 | -175.1 | 63.6 | 0 | 0 | 0 | 111.4 | I115 L124 V134 P135 P136 D140 C141 L147 L162 L165 | I115-L138 HydrophobicContact CG1-CD1 4.04Å; I115-L138 HydrophobicContact CG2-CB 4.21Å; I115-L138 HydrophobicContact CG2-CD1 4.12Å; L124-L138 HydrophobicContact CD2-CD1 3.59Å; L124-L138 HydrophobicContact CD2-CD2 4.12Å; V134-L138 HydrophobicContact CG1-CB 4.01Å; V134-L138 HydrophobicContact CG1-CD2 3.42Å; V134-L138 VanDerWaalsContact CG1-CD2 3.42Å; V134-L138 HydrophobicContact CG1-CG 4.35Å; P135-L138 WeakPolarHBondContact O-CB 3.35Å; P135-L138 PolarHBondContact O-N 3.43Å; P136-L138 PolarHBondContact O-N 3.37Å; P136-L138 VanDerWaalsContact O-N 3.1Å; L138-D140 PolarHBondContact O-N 3.17Å; L138-D140 VanDerWaalsContact O-N 3.16Å; L138-C141 WeakPolarHBondContact O-CB 3.39Å; L138-C141 PolarHBondContact O-N 3.01Å; L138-C141 VanDerWaalsContact O-N 3.13Å; L138-L147 HydrophobicContact CD2-CD1 4.09Å; L138-L147 HydrophobicContact CD2-CD2 3.96Å; L138-L162 HydrophobicContact CB-CD1 4.36Å; L138-L162 HydrophobicContact CD2-CD2 4.4Å; L138-L165 WeakPolarHBondContact O-CD2 3.19Å |
| 139 | G | 95.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -59.5 | -19.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P136 E137 C141 E161 | P136-G139 PolarHBondContact O-N 3Å; E137-G139 PolarHBondContact O-N 3.26Å; G139-C141 VanDerWaalsContact C-N 3.31Å; G139-E161 WeakPolarHBondContact CA-O 3.4Å |
| 140 | D | 95.9 | Very high | 96.8 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -82.1 | -7.2 | 178.7 | -60.7 | -28.3 | 0 | 0 | 0 | 113 | E137 L138 E142 | E137-D140 WeakPolarHBondContact O-CB 3.3Å; E137-D140 PolarHBondContact O-N 3.13Å; L138-D140 PolarHBondContact O-N 3.17Å; L138-D140 VanDerWaalsContact O-N 3.16Å; D140-E142 PolarHBondContact O-N 3.25Å |
| 141 | C | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -77.2 | 69.5 | 174.9 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | I115 L138 G139 Q143 L144 L165 | I115-C141 PolarHBondContact O-SG 3.32Å; L138-C141 WeakPolarHBondContact O-CB 3.39Å; L138-C141 PolarHBondContact O-N 3.01Å; L138-C141 VanDerWaalsContact O-N 3.13Å; G139-C141 VanDerWaalsContact C-N 3.31Å; C141-Q143 PolarHBondContact O-N 2.95Å; C141-L144 HydrophobicContact CB-CB 4.14Å; C141-L144 VanDerWaalsContact O-CB 3.24Å; C141-L144 WeakPolarHBondContact O-CB 3.33Å; C141-L144 PolarHBondContact O-N 3.04Å; C141-L165 HydrophobicContact CB-CD2 4.24Å; C141-L165 VanDerWaalsContact O-CD2 3.26Å; C141-L165 WeakPolarHBondContact O-CD2 3.33Å | ||
| 142 | E | 92.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 41.3 Ų | 41.3 | 62% | 0.621 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.9 | -169.7 | -65.2 | -175.9 | 174.7 | 0 | 0 | 114.7 | D140 Q167 | D140-E142 PolarHBondContact O-N 3.25Å; E142-Q167 WeakPolarHBondContact O-CB 3.23Å; E142-Q167 WeakPolarHBondContact O-CG 3.49Å |
| 143 | Q | 96 | Very high | 96.8 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 38% | 0.383 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 0.4 | 178.9 | -58.8 | -58.3 | -41.2 | 0 | 0 | 113.7 | S119 L121 C141 E145 | S119-Q143 WeakPolarHBondContact O-CG 3.43Å; L121-Q143 CarbonylContact O-C 3.2Å; C141-Q143 PolarHBondContact O-N 2.95Å; Q143-E145 PolarHBondContact O-N 3.03Å |
| 144 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -68.9 | 120.2 | -175.1 | -165.3 | 73.2 | 0 | 0 | 0 | 110.7 | L121 L124 C141 L147 L165 Q167 L168 | L121-L144 HydrophobicContact CB-CD1 4.48Å; L121-L144 HydrophobicContact CD2-CD1 4.01Å; L121-L144 HydrophobicContact CG-CD1 3.93Å; L121-L144 VanDerWaalsContact O-CA 3.24Å; L121-L144 WeakPolarHBondContact O-CA 3.44Å; L121-L144 PolarHBondContact O-N 3.46Å; L121-L144 VanDerWaalsContact O-N 3.13Å; L124-L144 HydrophobicContact CB-CD1 3.87Å; L124-L144 HydrophobicContact CB-CD2 4.49Å; C141-L144 HydrophobicContact CB-CB 4.14Å; C141-L144 VanDerWaalsContact O-CB 3.24Å; C141-L144 WeakPolarHBondContact O-CB 3.33Å; C141-L144 PolarHBondContact O-N 3.04Å; L144-L147 HydrophobicContact CD2-CB 4.06Å; L144-L147 HydrophobicContact CD2-CD1 4.38Å; L144-L147 HydrophobicContact CD2-CD2 4.49Å; L144-L165 HydrophobicContact CB-CD2 4.1Å; L144-L165 HydrophobicContact CD2-CD1 4.09Å; L144-L165 HydrophobicContact CD2-CD2 4.29Å; L144-Q167 CarbonylContact O-C 3.6Å; L144-L168 HydrophobicContact CB-CD1 4.39Å; L144-L168 HydrophobicContact CD2-CD1 4.01Å; L144-L168 HydrophobicContact CG-CD1 3.97Å; L144-L168 VanDerWaalsContact O-CA 3.3Å; L144-L168 WeakPolarHBondContact O-CA 3.32Å; L144-L168 PolarHBondContact O-N 3.27Å; L144-L168 VanDerWaalsContact O-N 3.12Å | ||
| 145 | E | 98.1 | Very high | 96.8 | Very high | 71 Ų | 71 | 39.2 Ų | 39.2 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | trans | -102.4 | -31.2 | 179.8 | -63.6 | -176.2 | 175.1 | 0 | 0 | 112.4 | H122 Q143 V169 H170 | H122-E145 IonicContact CD2-OE1 3.94Å; H122-E145 PolarHBondContact O-N 2.79Å; Q143-E145 PolarHBondContact O-N 3.03Å; E145-V169 PolarHBondContact O-N 3.05Å; E145-H170 PolarHBondContact O-N 3.21Å | ||
| 146 | R | 98.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124 | -177.3 | -60.1 | -169.3 | 174.8 | 80.2 | -4.8 | 111.3 | H122 R123 L124 H170 | H122-R146 PolarHBondContact O-N 3.37Å; H122-R146 VanDerWaalsContact O-N 3.08Å; R123-R146 HydrophobicContact CG-CB 4.3Å; R123-R146 VanDerWaalsContact CZ-CD 3.41Å; L124-R146 PolarHBondContact N-O 2.86Å; R146-H170 WeakPolarHBondContact CA-O 3.45Å; R146-H170 HydrophobicContact CB-CB 4.4Å; R146-H170 HydrophobicContact CG-CB 3.96Å |
| 147 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 110.9 | 176.7 | 177.9 | 55.4 | 0 | 0 | 0 | 109.3 | L124 L138 L144 L149 L162 L165 L168 H170 L171 D172 | L124-L147 HydrophobicContact CB-CD1 4.1Å; L124-L147 HydrophobicContact CD2-CD1 3.85Å; L124-L147 HydrophobicContact CG-CD1 4.04Å; L124-L147 WeakPolarHBondContact O-CA 3.12Å; L138-L147 HydrophobicContact CD2-CD1 4.09Å; L138-L147 HydrophobicContact CD2-CD2 3.96Å; L144-L147 HydrophobicContact CD2-CB 4.06Å; L144-L147 HydrophobicContact CD2-CD1 4.38Å; L144-L147 HydrophobicContact CD2-CD2 4.49Å; L147-L149 HydrophobicContact CD1-CD1 4.09Å; L147-L149 HydrophobicContact CD1-CD2 3.94Å; L147-L149 HydrophobicContact CD1-CG 3.82Å; L147-L149 HydrophobicContact CD2-CD1 4.12Å; L147-L149 HydrophobicContact CG-CD1 4.01Å; L147-L149 HydrophobicContact CG-CG 4Å; L147-L162 HydrophobicContact CD2-CD2 4.21Å; L147-L165 HydrophobicContact CD2-CD1 4.27Å; L147-L168 HydrophobicContact CB-CD1 3.79Å; L147-L168 HydrophobicContact CB-CD2 4.29Å; L147-H170 PolarHBondContact N-O 3.25Å; L147-L171 HydrophobicContact CB-CD1 4Å; L147-L171 HydrophobicContact CD2-CD1 3.85Å; L147-L171 HydrophobicContact CG-CD1 3.84Å; L147-L171 WeakPolarHBondContact O-CA 3.21Å; L147-D172 PolarHBondContact O-N 2.94Å |
| 148 | E | 98.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 111.1 | -177.7 | -61.9 | 166.5 | -134.1 | 0 | 0 | 109.1 | R123 L124 N125 I126 S127 D172 | R123-E148 IonicContact NH1-OE1 2.86Å; R123-E148 PolarHBondContact NH1-OE1 3.13Å; L124-E148 PolarHBondContact O-N 3.35Å; N125-E148 WeakPolarHBondContact CA-O 3.45Å; N125-E148 HydrophobicContact CB-CB 3.94Å; N125-E148 PolarHBondContact ND2-OE2 2.93Å; I126-E148 PolarHBondContact N-O 2.94Å; S127-E148 PolarHBondContact OG-O 3.5Å; E148-D172 HydrophobicContact CG-CB 4.41Å |
| 149 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -125.4 | 19.2 | -175.9 | -62 | 175.8 | 0 | 0 | 0 | 111.7 | I126 L131 V134 L147 N152 L155 L158 D172 I173 N176 | I126-L149 HydrophobicContact CB-CD2 4.22Å; L131-L149 HydrophobicContact CD1-CD2 4Å; V134-L149 HydrophobicContact CG2-CD1 3.87Å; L147-L149 HydrophobicContact CD1-CD1 4.09Å; L147-L149 HydrophobicContact CD1-CD2 3.94Å; L147-L149 HydrophobicContact CD1-CG 3.82Å; L147-L149 HydrophobicContact CD2-CD1 4.12Å; L147-L149 HydrophobicContact CG-CD1 4.01Å; L147-L149 HydrophobicContact CG-CG 4Å; L149-N152 PolarHBondContact O-ND2 2.93Å; L149-L155 HydrophobicContact CB-CD2 4.23Å; L149-L155 HydrophobicContact CD1-CD2 4.23Å; L149-L158 HydrophobicContact CD1-CD2 4.01Å; L149-D172 WeakPolarHBondContact CA-O 3.43Å; L149-D172 PolarHBondContact N-O 2.89Å; L149-I173 HydrophobicContact CB-CG2 4.1Å; L149-I173 HydrophobicContact CD1-CG2 4.21Å; L149-N176 PolarHBondContact O-ND2 3.07Å; L149-N176 PolarHBondContact O-OD1 2.8Å | ||
| 150 | A | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 147.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S127 Y128 N152 S174 | S127-A150 CarbonylContact C-O 3.23Å; S127-A150 WeakPolarHBondContact CA-O 3.45Å; S127-A150 WeakPolarHBondContact CB-O 3.33Å; S127-A150 PolarHBondContact OG-N 3.22Å; Y128-A150 PolarHBondContact N-O 3.07Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-N152 PolarHBondContact O-N 3.12Å; A150-S174 CarbonylContact C-O 3.52Å; A150-S174 WeakPolarHBondContact CA-O 3.33Å; A150-S174 VanDerWaalsContact CB-OG 3.3Å; A150-S174 WeakPolarHBondContact CB-OG 3.37Å |
| 151 | G | 97 | Very high | 96.4 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 25 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y128 L153 S174 E175 | Y128-G151 WeakPolarHBondContact CA-O 3.34Å; G151-L153 PolarHBondContact O-N 3.23Å; G151-S174 PolarHBondContact N-O 3.05Å; G151-E175 VanDerWaalsContact CA-O 3.27Å; G151-E175 WeakPolarHBondContact CA-O 3.37Å; G151-E175 PolarHBondContact N-O 3.11Å |
| 152 | N | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -93.7 | 80.5 | 169.7 | -76.5 | -75.8 | 0 | 0 | 0 | 109.1 | I126 N129 R130 L131 L149 A150 S154 L155 N176 | I126-N152 PolarHBondContact O-ND2 3.26Å; N129-N152 WeakPolarHBondContact CA-OD1 3.27Å; N129-N152 WeakPolarHBondContact CB-OD1 3.44Å; N129-N152 PolarHBondContact N-OD1 2.91Å; N129-N152 PolarHBondContact O-OD1 3Å; R130-N152 PolarHBondContact N-OD1 3.26Å; L131-N152 HydrophobicContact CB-CB 4.02Å; L131-N152 WeakPolarHBondContact CB-OD1 3.43Å; L131-N152 WeakPolarHBondContact CG-OD1 3.3Å; L131-N152 PolarHBondContact N-OD1 2.87Å; L149-N152 PolarHBondContact O-ND2 2.93Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-N152 PolarHBondContact O-N 3.12Å; N152-S154 PolarHBondContact O-N 2.94Å; N152-L155 HydrophobicContact CB-CB 3.95Å; N152-L155 HydrophobicContact CB-CD2 4.46Å; N152-L155 WeakPolarHBondContact O-CB 3.49Å; N152-L155 PolarHBondContact O-N 2.86Å; N152-N176 WeakPolarHBondContact CA-OD1 3.43Å; N152-N176 VanDerWaalsContact CB-OD1 3.3Å; N152-N176 WeakPolarHBondContact CB-OD1 3.32Å; N152-N176 PolarHBondContact N-OD1 3.3Å; N152-N176 PolarHBondContact O-OD1 3.29Å | ||
| 153 | L | 94.4 | Very high | 96.5 | Very high | 109 Ų | 109 | 43.4 Ų | 43.4 | 57% | 0.571 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -4.4 | -166.2 | -58.8 | 177.7 | 0 | 0 | 0 | 116.9 | G151 R177 | G151-L153 PolarHBondContact O-N 3.23Å; L153-R177 WeakPolarHBondContact O-CD 3.43Å; L153-R177 WeakPolarHBondContact O-CG 3.37Å; L153-R177 PolarHBondContact O-NE 2.78Å; L153-R177 PolarHBondContact O-NH2 3.02Å |
| 154 | S | 94.4 | Very high | 96.3 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 44% | 0.441 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -10.2 | 174.4 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | N152 | N152-S154 PolarHBondContact O-N 2.94Š|
| 155 | L | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -74.1 | 125.1 | -179.8 | -173.5 | 65.9 | 0 | 0 | 0 | 109.8 | L131 V134 L149 N152 E157 L158 R177 F178 | L131-L155 PolarHBondContact O-N 2.92Å; V134-L155 HydrophobicContact CG2-CD1 4.15Å; V134-L155 HydrophobicContact CG2-CD2 4.48Å; L149-L155 HydrophobicContact CB-CD2 4.23Å; L149-L155 HydrophobicContact CD1-CD2 4.23Å; N152-L155 HydrophobicContact CB-CB 3.95Å; N152-L155 HydrophobicContact CB-CD2 4.46Å; N152-L155 WeakPolarHBondContact O-CB 3.49Å; N152-L155 PolarHBondContact O-N 2.86Å; L155-E157 WeakPolarHBondContact CD1-O 3.18Å; L155-L158 HydrophobicContact CD2-CD2 4.45Å; L155-R177 WeakPolarHBondContact O-CA 3.25Å; L155-R177 PolarHBondContact O-N 3.29Å; L155-F178 HydrophobicContact CD2-CE2 4.07Å; L155-F178 HydrophobicContact CD2-CZ 4.12Å; L155-F178 HydrophobicContact CG-CE2 3.96Å; L155-F178 HydrophobicContact CG-CZ 3.93Å | ||
| 156 | S | 94.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 43% | 0.427 | 22% | 0.222 | S | C | . | . | trans | -133.7 | -13.3 | -175.8 | 50.9 | 0 | 0 | 0 | 0 | 114 | R177 F178 | S156-R177 WeakPolarHBondContact CB-O 3.28Å; S156-F178 WeakPolarHBondContact O-CD1 3.44Å | ||
| 157 | E | 94.8 | Very high | 95.8 | Very high | 138 Ų | 138 | 40.5 Ų | 40.5 | 65% | 0.645 | 22% | 0.217 | S | C | * | . | trans | -142.3 | 157.2 | 179.4 | 63.7 | -178.7 | -164.9 | 0 | 0 | 110.8 | L155 | L155-E157 WeakPolarHBondContact CD1-O 3.18Š| ||
| 158 | L | 96.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | trans | -121.2 | 141.6 | 169.3 | -69.9 | -177.2 | 0 | 0 | 0 | 108.7 | V134 L149 L155 L162 L171 I173 F178 P182 C184 | V134-L158 HydrophobicContact CB-CD2 4.31Å; V134-L158 HydrophobicContact CG2-CD2 3.81Å; L149-L158 HydrophobicContact CD1-CD2 4.01Å; L155-L158 HydrophobicContact CD2-CD2 4.45Å; L158-L162 HydrophobicContact CB-CD2 4.22Å; L158-L162 HydrophobicContact CD1-CD2 4.16Å; L158-L162 HydrophobicContact CD2-CD2 4.06Å; L158-L162 HydrophobicContact CG-CD2 4.37Å; L158-L171 HydrophobicContact CD1-CD2 4.21Å; L158-I173 HydrophobicContact CD1-CG2 4.3Å; L158-F178 HydrophobicContact CD2-CZ 4.11Å; L158-F178 HydrophobicContact CG-CE1 3.89Å; L158-F178 HydrophobicContact CG-CZ 3.78Å; L158-P182 HydrophobicContact CB-CB 4.26Å; L158-P182 HydrophobicContact CD1-CB 4.22Å; L158-P182 HydrophobicContact CD1-CG 4.15Å; L158-P182 HydrophobicContact CG-CB 4.49Å; L158-P182 HydrophobicContact CG-CG 4.4Å; L158-C184 VanDerWaalsContact CB-SG 3.57Å | ||
| 159 | P | 95.9 | Very high | 95.7 | Very high | 24 Ų | 24 | 41 Ų | 41 | 16% | 0.156 | 22% | 0.222 | C | C | . | . | trans | -59.2 | 147.9 | 174.4 | -12.7 | 20.4 | 0 | 0 | 0 | 111.7 | V134 P136 E161 L162 C184 | V134-P159 HydrophobicContact CB-CG 4.42Å; V134-P159 WeakPolarHBondContact O-CG 3.36Å; P136-P159 HydrophobicContact CB-CB 4.08Å; P136-P159 HydrophobicContact CB-CG 4.5Å; P159-E161 WeakPolarHBondContact CB-OE2 3.45Å; P159-E161 PolarHBondContact O-N 2.97Å; P159-L162 HydrophobicContact CB-CD1 3.76Å; P159-L162 HydrophobicContact CG-CD1 3.54Å; P159-L162 PolarHBondContact O-N 3.13Å; P159-C184 WeakPolarHBondContact O-CB 3Å | ||
| 160 | F | 94.6 | Very high | 95.7 | Very high | 101 Ų | 101 | 42.9 Ų | 42.9 | 44% | 0.443 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -64.6 | -28.9 | 175.8 | 177.8 | -99.1 | 0 | 0 | 0 | 111.9 | L162 S163 I183 | F160-L162 PolarHBondContact O-N 3.02Å; F160-L162 VanDerWaalsContact O-N 3.16Å; F160-S163 WeakPolarHBondContact O-CB 3.48Å; F160-S163 PolarHBondContact O-N 3.32Å; F160-S163 PolarHBondContact O-OG 2.94Å; F160-I183 HydrophobicContact CD2-CG2 4.29Å; F160-I183 HydrophobicContact CE2-CG2 4.2Å |
| 161 | E | 96.3 | Very high | 95.7 | Very high | 102 Ų | 102 | 42.8 Ų | 42.8 | 48% | 0.477 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -59.1 | -24.7 | 179.2 | -66.4 | 78.5 | -173.7 | 0 | 0 | 112.4 | P136 G139 P159 S163 G164 | P136-E161 HydrophobicContact CB-CB 3.84Å; P136-E161 HydrophobicContact CB-CG 3.69Å; P136-E161 WeakPolarHBondContact O-CB 3.44Å; G139-E161 WeakPolarHBondContact CA-O 3.4Å; P159-E161 WeakPolarHBondContact CB-OE2 3.45Å; P159-E161 PolarHBondContact O-N 2.97Å; E161-S163 PolarHBondContact O-N 3.22Å; E161-G164 PolarHBondContact O-N 2.86Å |
| 162 | L | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -63 | -14.7 | 172.6 | -83.4 | 64.3 | 0 | 0 | 0 | 112.7 | V134 L138 L147 L158 P159 F160 G164 L165 C184 M188 | V134-L162 HydrophobicContact CG1-CD1 4.28Å; V134-L162 HydrophobicContact CG1-CD2 4.18Å; L138-L162 HydrophobicContact CB-CD1 4.36Å; L138-L162 HydrophobicContact CD2-CD2 4.4Å; L147-L162 HydrophobicContact CD2-CD2 4.21Å; L158-L162 HydrophobicContact CB-CD2 4.22Å; L158-L162 HydrophobicContact CD1-CD2 4.16Å; L158-L162 HydrophobicContact CD2-CD2 4.06Å; L158-L162 HydrophobicContact CG-CD2 4.37Å; P159-L162 HydrophobicContact CB-CD1 3.76Å; P159-L162 HydrophobicContact CG-CD1 3.54Å; P159-L162 PolarHBondContact O-N 3.13Å; F160-L162 PolarHBondContact O-N 3.02Å; F160-L162 VanDerWaalsContact O-N 3.16Å; L162-G164 PolarHBondContact O-N 3.15Å; L162-G164 VanDerWaalsContact O-N 3.15Å; L162-L165 HydrophobicContact CB-CD1 4.26Å; L162-L165 HydrophobicContact CG-CD1 4.19Å; L162-L165 WeakPolarHBondContact O-CB 3.24Å; L162-L165 WeakPolarHBondContact O-CG 3.24Å; L162-L165 PolarHBondContact O-N 2.99Å; L162-C184 HydrophobicContact CB-CB 4.15Å; L162-M188 HydrophobicContact CB-CE 4.07Å; L162-M188 WeakPolarHBondContact O-CE 3.32Å |
| 163 | S | 93.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -62.3 | -14 | 168.3 | 67 | 0 | 0 | 0 | 0 | 113.3 | F160 E161 L165 K166 | F160-S163 WeakPolarHBondContact O-CB 3.48Å; F160-S163 PolarHBondContact O-N 3.32Å; F160-S163 PolarHBondContact O-OG 2.94Å; E161-S163 PolarHBondContact O-N 3.22Å; S163-L165 VanDerWaalsContact C-N 3.26Å; S163-L165 PolarHBondContact O-N 3.45Å; S163-K166 WeakPolarHBondContact O-CE 3.36Å; S163-K166 PolarHBondContact O-NZ 3.31Å |
| 164 | G | 92.9 | Very high | 95.9 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -67.8 | -19.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E161 L162 K166 | E161-G164 PolarHBondContact O-N 2.86Å; L162-G164 PolarHBondContact O-N 3.15Å; L162-G164 VanDerWaalsContact O-N 3.15Å; G164-K166 VanDerWaalsContact C-N 3.26Å; G164-K166 WeakPolarHBondContact O-CG 3.46Å; G164-K166 PolarHBondContact O-N 2.8Å |
| 165 | L | 95.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -72.1 | 73.7 | 179.9 | -59.6 | 177 | 0 | 0 | 0 | 112 | L138 C141 L144 L147 L162 S163 Q167 L168 M188 | L138-L165 WeakPolarHBondContact O-CD2 3.19Å; C141-L165 HydrophobicContact CB-CD2 4.24Å; C141-L165 VanDerWaalsContact O-CD2 3.26Å; C141-L165 WeakPolarHBondContact O-CD2 3.33Å; L144-L165 HydrophobicContact CB-CD2 4.1Å; L144-L165 HydrophobicContact CD2-CD1 4.09Å; L144-L165 HydrophobicContact CD2-CD2 4.29Å; L147-L165 HydrophobicContact CD2-CD1 4.27Å; L162-L165 HydrophobicContact CB-CD1 4.26Å; L162-L165 HydrophobicContact CG-CD1 4.19Å; L162-L165 WeakPolarHBondContact O-CB 3.24Å; L162-L165 WeakPolarHBondContact O-CG 3.24Å; L162-L165 PolarHBondContact O-N 2.99Å; S163-L165 VanDerWaalsContact C-N 3.26Å; S163-L165 PolarHBondContact O-N 3.45Å; L165-Q167 PolarHBondContact O-N 2.98Å; L165-L168 HydrophobicContact CB-CB 4.05Å; L165-L168 HydrophobicContact CD1-CD1 4.37Å; L165-L168 HydrophobicContact CD1-CD2 4.32Å; L165-L168 PolarHBondContact O-N 3.05Å; L165-M188 HydrophobicContact CD1-CE 4.46Å | ||
| 166 | K | 91.6 | Very high | 96.1 | Very high | 101 Ų | 101 | 39.4 Ų | 39.4 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17.6 | -175 | -59.9 | -46.5 | -177.6 | -167.3 | 0 | 114.1 | S163 G164 R190 | S163-K166 WeakPolarHBondContact O-CE 3.36Å; S163-K166 PolarHBondContact O-NZ 3.31Å; G164-K166 VanDerWaalsContact C-N 3.26Å; G164-K166 WeakPolarHBondContact O-CG 3.46Å; G164-K166 PolarHBondContact O-N 2.8Å; K166-R190 VanDerWaalsContact O-CD 3.25Å; K166-R190 WeakPolarHBondContact O-CD 3.41Å; K166-R190 VanDerWaalsContact O-CG 3.28Å; K166-R190 WeakPolarHBondContact O-CG 3.33Å |
| 167 | Q | 96.3 | Very high | 96.2 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4.7 | 178.7 | -60.7 | -58.3 | -25.8 | 0 | 0 | 113.6 | E142 L144 L165 V169 | E142-Q167 WeakPolarHBondContact O-CB 3.23Å; E142-Q167 WeakPolarHBondContact O-CG 3.49Å; L144-Q167 CarbonylContact O-C 3.6Å; L165-Q167 PolarHBondContact O-N 2.98Å; Q167-V169 WeakPolarHBondContact O-CG2 3.3Å; Q167-V169 PolarHBondContact O-N 2.68Å |
| 168 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -66.8 | 122.3 | -173.9 | -154.3 | 76.5 | 0 | 0 | 0 | 111 | L144 L147 L165 L171 M188 R190 L191 | L144-L168 HydrophobicContact CB-CD1 4.39Å; L144-L168 HydrophobicContact CD2-CD1 4.01Å; L144-L168 HydrophobicContact CG-CD1 3.97Å; L144-L168 VanDerWaalsContact O-CA 3.3Å; L144-L168 WeakPolarHBondContact O-CA 3.32Å; L144-L168 PolarHBondContact O-N 3.27Å; L144-L168 VanDerWaalsContact O-N 3.12Å; L147-L168 HydrophobicContact CB-CD1 3.79Å; L147-L168 HydrophobicContact CB-CD2 4.29Å; L165-L168 HydrophobicContact CB-CB 4.05Å; L165-L168 HydrophobicContact CD1-CD1 4.37Å; L165-L168 HydrophobicContact CD1-CD2 4.32Å; L165-L168 PolarHBondContact O-N 3.05Å; L168-L171 HydrophobicContact CD2-CB 3.95Å; L168-L171 HydrophobicContact CD2-CD1 4.44Å; L168-M188 HydrophobicContact CB-SD 4.41Å; L168-M188 HydrophobicContact CD2-CE 3.93Å; L168-M188 HydrophobicContact CD2-SD 3.43Å; L168-M188 WeakPolarHBondContact CD2-SD 3.37Å; L168-R190 CarbonylContact O-C 3.08Å; L168-L191 HydrophobicContact CD2-CD1 4.2Å; L168-L191 HydrophobicContact CG-CD1 4.42Å; L168-L191 VanDerWaalsContact O-CA 3.32Å; L168-L191 WeakPolarHBondContact O-CA 3.39Å; L168-L191 PolarHBondContact O-N 3.09Å; L168-L191 VanDerWaalsContact O-N 3.11Å | ||
| 169 | V | 97.7 | Very high | 96 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | trans | -106.1 | -34.4 | 179 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | E145 Q167 Q192 L193 | E145-V169 PolarHBondContact O-N 3.05Å; Q167-V169 WeakPolarHBondContact O-CG2 3.3Å; Q167-V169 PolarHBondContact O-N 2.68Å; V169-Q192 HydrophobicContact CG1-CB 3.92Å; V169-Q192 HydrophobicContact CG1-CG 3.87Å; V169-Q192 PolarHBondContact O-N 3.3Å; V169-L193 PolarHBondContact O-N 3.2Å | ||
| 170 | H | 98.2 | Very high | 95.8 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 19% | 0.185 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.5 | -177.9 | -173.5 | -170.7 | 0 | 0 | 0 | 110.5 | E145 R146 L147 L193 | E145-H170 PolarHBondContact O-N 3.21Å; R146-H170 WeakPolarHBondContact CA-O 3.45Å; R146-H170 HydrophobicContact CB-CB 4.4Å; R146-H170 HydrophobicContact CG-CB 3.96Å; L147-H170 PolarHBondContact N-O 3.25Å; H170-L193 WeakPolarHBondContact CA-O 3.39Å; H170-L193 VanDerWaalsContact CD2-CD2 3.43Å; H170-L193 WeakPolarHBondContact CD2-CD2 3.46Å; H170-L193 WeakPolarHBondContact NE2-CD2 3.04Å |
| 171 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.1 | 169.1 | 178.9 | 54.6 | 0 | 0 | 0 | 109.3 | L147 L158 L168 I173 A185 M188 L191 L193 L194 D195 | L147-L171 HydrophobicContact CB-CD1 4Å; L147-L171 HydrophobicContact CD2-CD1 3.85Å; L147-L171 HydrophobicContact CG-CD1 3.84Å; L147-L171 WeakPolarHBondContact O-CA 3.21Å; L158-L171 HydrophobicContact CD1-CD2 4.21Å; L168-L171 HydrophobicContact CD2-CB 3.95Å; L168-L171 HydrophobicContact CD2-CD1 4.44Å; L171-I173 HydrophobicContact CD1-CG2 3.84Å; L171-I173 HydrophobicContact CG-CG2 4.23Å; L171-A185 HydrophobicContact CD2-CB 3.95Å; L171-M188 HydrophobicContact CD2-CE 4.26Å; L171-M188 HydrophobicContact CD2-SD 4.15Å; L171-L191 HydrophobicContact CB-CD1 3.74Å; L171-L193 PolarHBondContact N-O 3.49Å; L171-L194 HydrophobicContact CB-CD1 4.06Å; L171-L194 HydrophobicContact CD2-CD1 3.85Å; L171-L194 HydrophobicContact CG-CD1 3.87Å; L171-L194 CarbonylContact O-C 3.21Å; L171-L194 WeakPolarHBondContact O-CA 3.38Å; L171-D195 PolarHBondContact O-N 3.28Å |
| 172 | D | 98.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 14% | 0.139 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.5 | 171.7 | -179 | 0.9 | 0 | 0 | 0 | 109.4 | L147 E148 L149 S174 D195 | L147-D172 PolarHBondContact O-N 2.94Å; E148-D172 HydrophobicContact CG-CB 4.41Å; L149-D172 WeakPolarHBondContact CA-O 3.43Å; L149-D172 PolarHBondContact N-O 2.89Å; D172-S174 VanDerWaalsContact OD1-CB 3.23Å; D172-S174 WeakPolarHBondContact OD1-CB 3.19Å; D172-S174 PolarHBondContact OD1-N 3.04Å; D172-S174 PolarHBondContact OD1-OG 3.24Å; D172-D195 HydrophobicContact CB-CB 4.4Å |
| 173 | I | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -124.7 | 29.8 | 173.1 | 52.1 | 165.1 | 0 | 0 | 0 | 110.6 | L149 L158 L171 N176 F178 P182 L194 D195 L196 N199 | L149-I173 HydrophobicContact CB-CG2 4.1Å; L149-I173 HydrophobicContact CD1-CG2 4.21Å; L158-I173 HydrophobicContact CD1-CG2 4.3Å; L171-I173 HydrophobicContact CD1-CG2 3.84Å; L171-I173 HydrophobicContact CG-CG2 4.23Å; I173-N176 WeakPolarHBondContact CA-ND2 3.42Å; I173-N176 PolarHBondContact O-ND2 3Å; I173-F178 HydrophobicContact CB-CD2 4.36Å; I173-F178 HydrophobicContact CB-CE2 3.9Å; I173-F178 HydrophobicContact CB-CZ 4.43Å; I173-F178 HydrophobicContact CD1-CD1 4.28Å; I173-F178 HydrophobicContact CD1-CD2 4.06Å; I173-F178 HydrophobicContact CD1-CE1 4.19Å; I173-F178 HydrophobicContact CD1-CE2 3.98Å; I173-F178 HydrophobicContact CD1-CG 4.22Å; I173-F178 HydrophobicContact CD1-CZ 4.05Å; I173-F178 HydrophobicContact CG1-CE2 4.49Å; I173-F178 HydrophobicContact CG2-CE2 4.29Å; I173-F178 HydrophobicContact CG2-CZ 4.43Å; I173-P182 HydrophobicContact CD1-CG 3.71Å; I173-L194 HydrophobicContact CD1-CD1 4.41Å; I173-L194 HydrophobicContact CG1-CD1 4.23Å; I173-D195 CarbonylContact C-O 3.55Å; I173-D195 WeakPolarHBondContact CG1-O 3.04Å; I173-D195 PolarHBondContact N-O 3.28Å; I173-L196 HydrophobicContact CD1-CD2 3.29Å; I173-L196 HydrophobicContact CD1-CG 4.32Å; I173-L196 HydrophobicContact CG1-CD2 3.72Å; I173-L196 HydrophobicContact CG1-CG 4.35Å; I173-N199 PolarHBondContact O-ND2 3.23Å | ||
| 174 | S | 97.4 | Very high | 95.1 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | trans | -64.2 | 161.7 | 174.6 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | A150 G151 D172 N176 D195 S197 | A150-S174 CarbonylContact C-O 3.52Å; A150-S174 WeakPolarHBondContact CA-O 3.33Å; A150-S174 VanDerWaalsContact CB-OG 3.3Å; A150-S174 WeakPolarHBondContact CB-OG 3.37Å; G151-S174 PolarHBondContact N-O 3.05Å; D172-S174 VanDerWaalsContact OD1-CB 3.23Å; D172-S174 WeakPolarHBondContact OD1-CB 3.19Å; D172-S174 PolarHBondContact OD1-N 3.04Å; D172-S174 PolarHBondContact OD1-OG 3.24Å; S174-N176 VanDerWaalsContact C-N 3.27Å; S174-N176 PolarHBondContact O-N 2.93Å; S174-N176 PolarHBondContact O-ND2 3.3Å; S174-N176 VanDerWaalsContact O-ND2 3.08Å; S174-D195 PolarHBondContact N-O 3.41Å; S174-S197 CarbonylContact C-O 3.47Å; S174-S197 WeakPolarHBondContact CA-O 3.39Å; S174-S197 WeakPolarHBondContact CB-O 3.34Å; S174-S197 VanDerWaalsContact CB-OG 3.29Å; S174-S197 WeakPolarHBondContact CB-OG 3.15Å | ||
| 175 | E | 97.3 | Very high | 95 | Very high | 65 Ų | 65 | 31.6 Ų | 31.6 | 30% | 0.304 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 54.9 | 39.2 | 176.9 | -59.1 | -174.9 | -117.6 | 0 | 0 | 113.8 | Y128 G151 S197 N198 | Y128-E175 PolarHBondContact OH-OE1 3.28Å; G151-E175 VanDerWaalsContact CA-O 3.27Å; G151-E175 WeakPolarHBondContact CA-O 3.37Å; G151-E175 PolarHBondContact N-O 3.11Å; E175-S197 PolarHBondContact N-O 3.3Å; E175-N198 WeakPolarHBondContact CA-O 3.47Å; E175-N198 HydrophobicContact CB-CB 4.41Å; E175-N198 HydrophobicContact CG-CB 3.87Å |
| 176 | N | 97.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -119.7 | -162.3 | 179.3 | -73.9 | -51.2 | 0 | 0 | 0 | 110.6 | L149 N152 I173 S174 F178 N199 | L149-N176 PolarHBondContact O-ND2 3.07Å; L149-N176 PolarHBondContact O-OD1 2.8Å; N152-N176 WeakPolarHBondContact CA-OD1 3.43Å; N152-N176 VanDerWaalsContact CB-OD1 3.3Å; N152-N176 WeakPolarHBondContact CB-OD1 3.32Å; N152-N176 PolarHBondContact N-OD1 3.3Å; N152-N176 PolarHBondContact O-OD1 3.29Å; I173-N176 WeakPolarHBondContact CA-ND2 3.42Å; I173-N176 PolarHBondContact O-ND2 3Å; S174-N176 VanDerWaalsContact C-N 3.27Å; S174-N176 PolarHBondContact O-N 2.93Å; S174-N176 PolarHBondContact O-ND2 3.3Å; S174-N176 VanDerWaalsContact O-ND2 3.08Å; N176-F178 HydrophobicContact CB-CD2 3.62Å; N176-F178 HydrophobicContact CB-CE2 3.76Å; N176-N199 WeakPolarHBondContact CA-OD1 3.45Å; N176-N199 VanDerWaalsContact CB-OD1 3.23Å; N176-N199 WeakPolarHBondContact CB-OD1 3.49Å; N176-N199 PolarHBondContact N-OD1 3.06Å; N176-N199 PolarHBondContact O-OD1 2.91Å |
| 177 | R | 95.8 | Very high | 94.7 | Very high | 127 Ų | 127 | 38.4 Ų | 38.4 | 48% | 0.479 | 19% | 0.19 | S | C | . | . | trans | -118.7 | 33 | 178.8 | -63.7 | -169.7 | -177.1 | 167.1 | 14.2 | 113.3 | L153 L155 S156 A179 N199 | L153-R177 WeakPolarHBondContact O-CD 3.43Å; L153-R177 WeakPolarHBondContact O-CG 3.37Å; L153-R177 PolarHBondContact O-NE 2.78Å; L153-R177 PolarHBondContact O-NH2 3.02Å; L155-R177 WeakPolarHBondContact O-CA 3.25Å; L155-R177 PolarHBondContact O-N 3.29Å; S156-R177 WeakPolarHBondContact CB-O 3.28Å; R177-A179 PolarHBondContact O-N 3.05Å; R177-N199 PolarHBondContact N-OD1 3.07Å | ||
| 178 | F | 94.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | trans | -67.1 | 127.3 | 176.3 | -72.4 | -91.7 | 0 | 0 | 0 | 110.4 | L155 S156 L158 I173 N176 P182 N199 Q200 L201 | L155-F178 HydrophobicContact CD2-CE2 4.07Å; L155-F178 HydrophobicContact CD2-CZ 4.12Å; L155-F178 HydrophobicContact CG-CE2 3.96Å; L155-F178 HydrophobicContact CG-CZ 3.93Å; S156-F178 WeakPolarHBondContact O-CD1 3.44Å; L158-F178 HydrophobicContact CD2-CZ 4.11Å; L158-F178 HydrophobicContact CG-CE1 3.89Å; L158-F178 HydrophobicContact CG-CZ 3.78Å; I173-F178 HydrophobicContact CB-CD2 4.36Å; I173-F178 HydrophobicContact CB-CE2 3.9Å; I173-F178 HydrophobicContact CB-CZ 4.43Å; I173-F178 HydrophobicContact CD1-CD1 4.28Å; I173-F178 HydrophobicContact CD1-CD2 4.06Å; I173-F178 HydrophobicContact CD1-CE1 4.19Å; I173-F178 HydrophobicContact CD1-CE2 3.98Å; I173-F178 HydrophobicContact CD1-CG 4.22Å; I173-F178 HydrophobicContact CD1-CZ 4.05Å; I173-F178 HydrophobicContact CG1-CE2 4.49Å; I173-F178 HydrophobicContact CG2-CE2 4.29Å; I173-F178 HydrophobicContact CG2-CZ 4.43Å; N176-F178 HydrophobicContact CB-CD2 3.62Å; N176-F178 HydrophobicContact CB-CE2 3.76Å; F178-P182 HydrophobicContact CD1-CG 3.67Å; F178-P182 HydrophobicContact CE1-CG 3.59Å; F178-N199 HydrophobicContact CB-CB 4.28Å; F178-N199 WeakPolarHBondContact CB-OD1 3.46Å; F178-N199 WeakPolarHBondContact CD2-OD1 3.19Å; F178-N199 PolarHBondContact N-OD1 3.15Å; F178-Q200 CarbonylContact O-C 3.17Å; F178-Q200 WeakPolarHBondContact O-CA 3.36Å; F178-Q200 PolarHBondContact O-N 2.88Å; F178-L201 HydrophobicContact CB-CD2 4.28Å; F178-L201 PolarHBondContact O-N 3.32Å | ||
| 179 | A | 93.3 | Very high | 94.2 | Very high | 46 Ų | 46 | 41 Ų | 41 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -89 | -22.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R177 L201 S202 D203 | R177-A179 PolarHBondContact O-N 3.05Å; A179-L201 WeakPolarHBondContact O-CA 3.18Å; A179-S202 PolarHBondContact O-N 3.16Å; A179-D203 PolarHBondContact O-N 3.25Å |
| 180 | S | 92 | Very high | 94.1 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -147 | 169.8 | 177.7 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 181 | I | 91.4 | Very high | 94 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | trans | -69.8 | 128.1 | 176.9 | -56.6 | 173.8 | 0 | 0 | 0 | 109.1 | I183 L186 L194 L196 P205 | I181-I183 PolarHBondContact O-N 2.88Å; I181-L186 HydrophobicContact CG2-CD2 3.97Å; I181-L186 HydrophobicContact CG2-CG 4.28Å; I181-L194 HydrophobicContact CG2-CD2 4.3Å; I181-L196 HydrophobicContact CG1-CD1 3.99Å; I181-L196 HydrophobicContact CG2-CD1 4.32Å; I181-P205 HydrophobicContact CB-CG 4.29Å; I181-P205 WeakPolarHBondContact O-CB 3.4Å | ||
| 182 | P | 91.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 8% | 0.078 | 27% | 0.265 | C | S | . | . | trans | -62.8 | 129.4 | 178.3 | -22.6 | 33.4 | 0 | 0 | 0 | 112.4 | L158 I173 F178 C184 A185 L186 | L158-P182 HydrophobicContact CB-CB 4.26Å; L158-P182 HydrophobicContact CD1-CB 4.22Å; L158-P182 HydrophobicContact CD1-CG 4.15Å; L158-P182 HydrophobicContact CG-CB 4.49Å; L158-P182 HydrophobicContact CG-CG 4.4Å; I173-P182 HydrophobicContact CD1-CG 3.71Å; F178-P182 HydrophobicContact CD1-CG 3.67Å; F178-P182 HydrophobicContact CE1-CG 3.59Å; P182-C184 PolarHBondContact O-N 3.25Å; P182-A185 HydrophobicContact CB-CB 4.41Å; P182-A185 WeakPolarHBondContact O-CB 3.43Å; P182-A185 PolarHBondContact O-N 3.07Å; P182-L186 PolarHBondContact O-N 3.13Å | ||
| 183 | I | 90.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.6 | -33.3 | -179.8 | -62.8 | 154.8 | 0 | 0 | 0 | 111.6 | F160 I181 A185 L186 R187 D207 | F160-I183 HydrophobicContact CD2-CG2 4.29Å; F160-I183 HydrophobicContact CE2-CG2 4.2Å; I181-I183 PolarHBondContact O-N 2.88Å; I183-A185 VanDerWaalsContact C-N 3.28Å; I183-A185 PolarHBondContact O-N 3.23Å; I183-L186 WeakPolarHBondContact O-CB 3.34Å; I183-L186 PolarHBondContact O-N 3.16Å; I183-R187 PolarHBondContact O-N 3.2Å; I183-D207 HydrophobicContact CD1-CB 3.66Å |
| 184 | C | 91.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 176.4 | 58 | 0 | 0 | 0 | 0 | 112.1 | L158 P159 L162 P182 L186 R187 M188 | L158-C184 VanDerWaalsContact CB-SG 3.57Å; P159-C184 WeakPolarHBondContact O-CB 3Å; L162-C184 HydrophobicContact CB-CB 4.15Å; P182-C184 PolarHBondContact O-N 3.25Å; C184-L186 VanDerWaalsContact C-N 3.32Å; C184-L186 PolarHBondContact O-N 3.04Å; C184-R187 PolarHBondContact O-N 2.94Å; C184-R187 VanDerWaalsContact O-N 3.09Å; C184-M188 HydrophobicContact CB-CE 4.48Å; C184-M188 WeakPolarHBondContact O-CG 3.26Å; C184-M188 PolarHBondContact O-N 3.07Å |
| 185 | A | 91.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L171 P182 I183 R187 M188 L191 L194 | L171-A185 HydrophobicContact CD2-CB 3.95Å; P182-A185 HydrophobicContact CB-CB 4.41Å; P182-A185 WeakPolarHBondContact O-CB 3.43Å; P182-A185 PolarHBondContact O-N 3.07Å; I183-A185 VanDerWaalsContact C-N 3.28Å; I183-A185 PolarHBondContact O-N 3.23Å; A185-R187 PolarHBondContact O-N 3.1Å; A185-M188 HydrophobicContact CB-SD 4.43Å; A185-M188 PolarHBondContact O-N 3.37Å; A185-L191 HydrophobicContact CB-CD2 4.31Å; A185-L194 HydrophobicContact CB-CD1 4.46Å; A185-L194 HydrophobicContact CB-CD2 4.2Å |
| 186 | L | 88.9 | Confident | 93.5 | Very high | 100 Ų | 100 | 59.8 Ų | 59.8 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.7 | -19.4 | 175.3 | -57.9 | 178.5 | 0 | 0 | 0 | 113.3 | I181 P182 I183 C184 P205 | I181-L186 HydrophobicContact CG2-CD2 3.97Å; I181-L186 HydrophobicContact CG2-CG 4.28Å; P182-L186 PolarHBondContact O-N 3.13Å; I183-L186 WeakPolarHBondContact O-CB 3.34Å; I183-L186 PolarHBondContact O-N 3.16Å; C184-L186 VanDerWaalsContact C-N 3.32Å; C184-L186 PolarHBondContact O-N 3.04Å; L186-P205 HydrophobicContact CD1-CB 4.12Å; L186-P205 HydrophobicContact CD1-CG 3.91Å |
| 187 | R | 91.1 | Very high | 93.4 | Very high | 144 Ų | 144 | 62 Ų | 62 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -2.7 | 179.1 | -69.5 | -165.8 | 170 | -140.9 | -2 | 114 | I183 C184 A185 S189 | I183-R187 PolarHBondContact O-N 3.2Å; C184-R187 PolarHBondContact O-N 2.94Å; C184-R187 VanDerWaalsContact O-N 3.09Å; A185-R187 PolarHBondContact O-N 3.1Å; R187-S189 PolarHBondContact O-N 3.23Å |
| 188 | M | 92.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | trans | -80.8 | 101.3 | 177.5 | -67.4 | 165.2 | -174 | 0 | 0 | 109.8 | L162 L165 L168 L171 C184 A185 R190 L191 | L162-M188 HydrophobicContact CB-CE 4.07Å; L162-M188 WeakPolarHBondContact O-CE 3.32Å; L165-M188 HydrophobicContact CD1-CE 4.46Å; L168-M188 HydrophobicContact CB-SD 4.41Å; L168-M188 HydrophobicContact CD2-CE 3.93Å; L168-M188 HydrophobicContact CD2-SD 3.43Å; L168-M188 WeakPolarHBondContact CD2-SD 3.37Å; L171-M188 HydrophobicContact CD2-CE 4.26Å; L171-M188 HydrophobicContact CD2-SD 4.15Å; C184-M188 HydrophobicContact CB-CE 4.48Å; C184-M188 WeakPolarHBondContact O-CG 3.26Å; C184-M188 PolarHBondContact O-N 3.07Å; A185-M188 HydrophobicContact CB-SD 4.43Å; A185-M188 PolarHBondContact O-N 3.37Å; M188-R190 VanDerWaalsContact C-N 3.29Å; M188-R190 PolarHBondContact O-N 3.26Å; M188-L191 HydrophobicContact CB-CB 3.84Å; M188-L191 HydrophobicContact CB-CD2 4.37Å; M188-L191 WeakPolarHBondContact O-CB 3.21Å; M188-L191 PolarHBondContact O-N 3.39Å; M188-L191 HydrophobicContact SD-CD1 4.4Å; M188-L191 HydrophobicContact SD-CD2 4.23Å | ||
| 189 | S | 90.8 | Very high | 93.4 | Very high | 97 Ų | 97 | 63 Ų | 63 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -19.2 | -171.2 | 54.3 | 0 | 0 | 0 | 0 | 115.4 | R187 | R187-S189 PolarHBondContact O-N 3.23Š|
| 190 | R | 95.9 | Very high | 93.4 | Very high | 137 Ų | 137 | 66.4 Ų | 66.4 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 1.4 | 178.8 | -69.8 | -168 | 173.1 | -165.7 | -5.9 | 113.6 | K166 L168 M188 Q192 | K166-R190 VanDerWaalsContact O-CD 3.25Å; K166-R190 WeakPolarHBondContact O-CD 3.41Å; K166-R190 VanDerWaalsContact O-CG 3.28Å; K166-R190 WeakPolarHBondContact O-CG 3.33Å; L168-R190 CarbonylContact O-C 3.08Å; M188-R190 VanDerWaalsContact C-N 3.29Å; M188-R190 PolarHBondContact O-N 3.26Å; R190-Q192 PolarHBondContact O-N 3.44Å |
| 191 | L | 96.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 69 Ų | 69 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | trans | -66.5 | 120.9 | -175.4 | -166.4 | 67.3 | 0 | 0 | 0 | 110.1 | L168 L171 A185 M188 L193 L194 | L168-L191 HydrophobicContact CD2-CD1 4.2Å; L168-L191 HydrophobicContact CG-CD1 4.42Å; L168-L191 VanDerWaalsContact O-CA 3.32Å; L168-L191 WeakPolarHBondContact O-CA 3.39Å; L168-L191 PolarHBondContact O-N 3.09Å; L168-L191 VanDerWaalsContact O-N 3.11Å; L171-L191 HydrophobicContact CB-CD1 3.74Å; A185-L191 HydrophobicContact CB-CD2 4.31Å; M188-L191 HydrophobicContact CB-CB 3.84Å; M188-L191 HydrophobicContact CB-CD2 4.37Å; M188-L191 WeakPolarHBondContact O-CB 3.21Å; M188-L191 PolarHBondContact O-N 3.39Å; M188-L191 HydrophobicContact SD-CD1 4.4Å; M188-L191 HydrophobicContact SD-CD2 4.23Å; L191-L193 WeakPolarHBondContact CD1-O 3.36Å; L191-L194 HydrophobicContact CD2-CB 4.05Å | ||
| 192 | Q | 95.8 | Very high | 92.7 | Very high | 167 Ų | 167 | 71 Ų | 71 | 78% | 0.78 | 37% | 0.367 | S | S | * | . | trans | -107.5 | -33.4 | 178.7 | -66 | 178.1 | 8.1 | 0 | 0 | 111.5 | V169 R190 | V169-Q192 HydrophobicContact CG1-CB 3.92Å; V169-Q192 HydrophobicContact CG1-CG 3.87Å; V169-Q192 PolarHBondContact O-N 3.3Å; R190-Q192 PolarHBondContact O-N 3.44Å | ||
| 193 | L | 96.4 | Very high | 91.7 | Very high | 83 Ų | 83 | 75.1 Ų | 75.1 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122.1 | -179.9 | -159.3 | 161.6 | 0 | 0 | 0 | 109.5 | V169 H170 L171 L191 D195 | V169-L193 PolarHBondContact O-N 3.2Å; H170-L193 WeakPolarHBondContact CA-O 3.39Å; H170-L193 VanDerWaalsContact CD2-CD2 3.43Å; H170-L193 WeakPolarHBondContact CD2-CD2 3.46Å; H170-L193 WeakPolarHBondContact NE2-CD2 3.04Å; L171-L193 PolarHBondContact N-O 3.49Å; L191-L193 WeakPolarHBondContact CD1-O 3.36Å; L193-D195 HydrophobicContact CD2-CB 4.07Å |
| 194 | L | 96.3 | Very high | 90.3 | Very high | 60 Ų | 60 | 79.3 Ų | 79.3 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 108.1 | 169.1 | 174.4 | 58.3 | 0 | 0 | 0 | 108.2 | L171 I173 I181 A185 L191 L196 | L171-L194 HydrophobicContact CB-CD1 4.06Å; L171-L194 HydrophobicContact CD2-CD1 3.85Å; L171-L194 HydrophobicContact CG-CD1 3.87Å; L171-L194 CarbonylContact O-C 3.21Å; L171-L194 WeakPolarHBondContact O-CA 3.38Å; I173-L194 HydrophobicContact CD1-CD1 4.41Å; I173-L194 HydrophobicContact CG1-CD1 4.23Å; I181-L194 HydrophobicContact CG2-CD2 4.3Å; A185-L194 HydrophobicContact CB-CD1 4.46Å; A185-L194 HydrophobicContact CB-CD2 4.2Å; L191-L194 HydrophobicContact CD2-CB 4.05Å; L194-L196 HydrophobicContact CD1-CD1 4.46Å; L194-L196 HydrophobicContact CD1-CG 4.11Å; L194-L196 HydrophobicContact CD2-CD1 3.7Å; L194-L196 HydrophobicContact CD2-CG 4.26Å; L194-L196 HydrophobicContact CG-CD1 3.86Å; L194-L196 HydrophobicContact CG-CG 3.92Å |
| 195 | D | 96.6 | Very high | 88.9 | Confident | 54 Ų | 54 | 79.9 Ų | 79.9 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120 | 172.1 | -161.4 | -22.6 | 0 | 0 | 0 | 110.2 | L171 D172 I173 S174 L193 S197 | L171-D195 PolarHBondContact O-N 3.28Å; D172-D195 HydrophobicContact CB-CB 4.4Å; I173-D195 CarbonylContact C-O 3.55Å; I173-D195 WeakPolarHBondContact CG1-O 3.04Å; I173-D195 PolarHBondContact N-O 3.28Å; S174-D195 PolarHBondContact N-O 3.41Å; L193-D195 HydrophobicContact CD2-CB 4.07Å; D195-S197 WeakPolarHBondContact OD1-CB 3.32Å; D195-S197 PolarHBondContact OD1-N 3.28Å; D195-S197 PolarHBondContact OD1-OG 3.37Å |
| 196 | L | 94.4 | Very high | 87.3 | Confident | 28 Ų | 28 | 86.8 Ų | 86.8 | 15% | 0.147 | 45% | 0.446 | C | S | . | . | trans | -122 | 9.3 | 179.4 | -77.2 | 162.7 | 0 | 0 | 0 | 111.8 | I173 I181 L194 N199 L201 | I173-L196 HydrophobicContact CD1-CD2 3.29Å; I173-L196 HydrophobicContact CD1-CG 4.32Å; I173-L196 HydrophobicContact CG1-CD2 3.72Å; I173-L196 HydrophobicContact CG1-CG 4.35Å; I181-L196 HydrophobicContact CG1-CD1 3.99Å; I181-L196 HydrophobicContact CG2-CD1 4.32Å; L194-L196 HydrophobicContact CD1-CD1 4.46Å; L194-L196 HydrophobicContact CD1-CG 4.11Å; L194-L196 HydrophobicContact CD2-CD1 3.7Å; L194-L196 HydrophobicContact CD2-CG 4.26Å; L194-L196 HydrophobicContact CG-CD1 3.86Å; L194-L196 HydrophobicContact CG-CG 3.92Å; L196-N199 WeakPolarHBondContact O-CB 3.48Å; L196-N199 PolarHBondContact O-ND2 3.38Å; L196-L201 HydrophobicContact CB-CD1 4.08Å | ||
| 197 | S | 95.1 | Very high | 85.7 | Confident | 54 Ų | 54 | 86.1 Ų | 86.1 | 38% | 0.378 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 152.5 | -177.3 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | S174 E175 D195 N199 | S174-S197 CarbonylContact C-O 3.47Å; S174-S197 WeakPolarHBondContact CA-O 3.39Å; S174-S197 WeakPolarHBondContact CB-O 3.34Å; S174-S197 VanDerWaalsContact CB-OG 3.29Å; S174-S197 WeakPolarHBondContact CB-OG 3.15Å; E175-S197 PolarHBondContact N-O 3.3Å; D195-S197 WeakPolarHBondContact OD1-CB 3.32Å; D195-S197 PolarHBondContact OD1-N 3.28Å; D195-S197 PolarHBondContact OD1-OG 3.37Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 PolarHBondContact O-N 3.03Å; S197-N199 PolarHBondContact O-ND2 3.5Å |
| 198 | N | 95 | Very high | 83.8 | Confident | 124 Ų | 124 | 85.7 Ų | 85.7 | 66% | 0.663 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 39.2 | 178.9 | -58.1 | -25.3 | 0 | 0 | 0 | 114.8 | E175 | E175-N198 WeakPolarHBondContact CA-O 3.47Å; E175-N198 HydrophobicContact CB-CB 4.41Å; E175-N198 HydrophobicContact CG-CB 3.87Å |
| 199 | N | 95.3 | Very high | 81.6 | Confident | 29 Ų | 29 | 93.1 Ų | 93.1 | 16% | 0.155 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -107 | -179 | 170 | -83.7 | -76.1 | 0 | 0 | 0 | 111.9 | I173 N176 R177 F178 L196 S197 L201 | I173-N199 PolarHBondContact O-ND2 3.23Å; N176-N199 WeakPolarHBondContact CA-OD1 3.45Å; N176-N199 VanDerWaalsContact CB-OD1 3.23Å; N176-N199 WeakPolarHBondContact CB-OD1 3.49Å; N176-N199 PolarHBondContact N-OD1 3.06Å; N176-N199 PolarHBondContact O-OD1 2.91Å; R177-N199 PolarHBondContact N-OD1 3.07Å; F178-N199 HydrophobicContact CB-CB 4.28Å; F178-N199 WeakPolarHBondContact CB-OD1 3.46Å; F178-N199 WeakPolarHBondContact CD2-OD1 3.19Å; F178-N199 PolarHBondContact N-OD1 3.15Å; L196-N199 WeakPolarHBondContact O-CB 3.48Å; L196-N199 PolarHBondContact O-ND2 3.38Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 PolarHBondContact O-N 3.03Å; S197-N199 PolarHBondContact O-ND2 3.5Å; N199-L201 VanDerWaalsContact C-N 3.33Å; N199-L201 HydrophobicContact CB-CD2 4.33Å; N199-L201 HydrophobicContact CB-CG 3.95Å |
| 200 | Q | 92.3 | Very high | 79.2 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | trans | -100 | 35.1 | 179.3 | -61.5 | -178.6 | 4.9 | 0 | 0 | 111.8 | F178 S202 | F178-Q200 CarbonylContact O-C 3.17Å; F178-Q200 WeakPolarHBondContact O-CA 3.36Å; F178-Q200 PolarHBondContact O-N 2.88Å; Q200-S202 PolarHBondContact O-N 2.77Å; Q200-S202 PolarHBondContact O-OG 3.3Å | ||
| 201 | L | 88.2 | Confident | 78.4 | Confident | 79 Ų | 79 | 100 Ų | 100 | 41% | 0.414 | 51% | 0.506 | S | S | . | . | trans | -60.4 | 114.1 | -174.9 | -59.6 | 177.2 | 0 | 0 | 0 | 110 | F178 A179 L196 N199 | F178-L201 HydrophobicContact CB-CD2 4.28Å; F178-L201 PolarHBondContact O-N 3.32Å; A179-L201 WeakPolarHBondContact O-CA 3.18Å; L196-L201 HydrophobicContact CB-CD1 4.08Å; N199-L201 VanDerWaalsContact C-N 3.33Å; N199-L201 HydrophobicContact CB-CD2 4.33Å; N199-L201 HydrophobicContact CB-CG 3.95Å | ||
| 202 | S | 81.7 | Confident | 77.4 | Confident | 94 Ų | 94 | 103 Ų | 103 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | trans | -129.2 | -23 | -179.7 | 38.8 | 0 | 0 | 0 | 0 | 112.1 | A179 Q200 | A179-S202 PolarHBondContact O-N 3.16Å; Q200-S202 PolarHBondContact O-N 2.77Å; Q200-S202 PolarHBondContact O-OG 3.3Å | ||
| 203 | D | 69.6 | Low | 76.4 | Confident | 100 Ų | 100 | 99.4 Ų | 99.4 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -121.1 | 156.8 | -177.3 | -74.4 | -38.6 | 0 | 0 | 0 | 112.8 | A179 | A179-D203 PolarHBondContact O-N 3.25Š|
| 204 | L | 61.8 | Low | 75.2 | Confident | 140 Ų | 140 | 100.4 Ų | 100.4 | 73% | 0.733 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -65.1 | 155.3 | 160.8 | -70 | 168.3 | 0 | 0 | 0 | 109.7 | Q206 | L204-Q206 PolarHBondContact O-N 2.72Š|
| 205 | P | 62.1 | Low | 73.9 | Confident | 12 Ų | 12 | 102.9 Ų | 102.9 | 8% | 0.078 | 52% | 0.523 | C | S | . | . | trans | -51.4 | 128 | 178.8 | 4.8 | -12.5 | 0 | 0 | 0 | 111.3 | I181 L186 D207 M208 | I181-P205 HydrophobicContact CB-CG 4.29Å; I181-P205 WeakPolarHBondContact O-CB 3.4Å; L186-P205 HydrophobicContact CD1-CB 4.12Å; L186-P205 HydrophobicContact CD1-CG 3.91Å; P205-D207 PolarHBondContact O-N 2.93Å; P205-M208 HydrophobicContact CB-CG 4.29Å; P205-M208 HydrophobicContact CG-CG 3.84Å; P205-M208 HydrophobicContact CG-SD 3.82Å | ||
| 206 | Q | 56.3 | Low | 72.4 | Confident | 151 Ų | 151 | 106.2 Ų | 106.2 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -4.8 | -167.5 | -87.9 | -177.4 | -9.7 | 0 | 0 | 116 | L204 | L204-Q206 PolarHBondContact O-N 2.72Š|
| 207 | D | 55.9 | Low | 70.8 | Confident | 86 Ų | 86 | 111.8 Ų | 111.8 | 46% | 0.46 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141 | 53.1 | 179.4 | -67.9 | -66.7 | 0 | 0 | 0 | 113.6 | I183 P205 D209 | I183-D207 HydrophobicContact CD1-CB 3.66Å; P205-D207 PolarHBondContact O-N 2.93Å; D207-D209 PolarHBondContact O-N 3.4Å |
| 208 | M | 51.7 | Low | 69 | Low | 135 Ų | 135 | 116.2 Ų | 116.2 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -6.1 | 168.4 | -71.8 | -169.1 | 64.4 | 0 | 0 | 114.2 | P205 | P205-M208 HydrophobicContact CB-CG 4.29Å; P205-M208 HydrophobicContact CG-CG 3.84Å; P205-M208 HydrophobicContact CG-SD 3.82Å |
| 209 | D | 47.3 | Very low | 66.8 | Low | 165 Ų | 165 | 115.6 Ų | 115.6 | 88% | 0.882 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 21.5 | -170.4 | -77.3 | -26.5 | 0 | 0 | 0 | 115.1 | D207 | D207-D209 PolarHBondContact O-N 3.4Š|
| 210 | R | 39.4 | Very low | 64.2 | Low | 278 Ų | 278 | 123.5 Ų | 123.5 | 100% | 1.049 | 61% | 0.612 | S | S | * | * | trans | -130.4 | 0 | 177.7 | -70.8 | -171.1 | 175.7 | -179.8 | 3.3 | 115.1 |
Retrieved 210 of 210 residues in 246.9 ms
(Link to these results)